Physical Chemistry, Chemical Physics

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  • 1999 | Journal Article
    ​ ​Häber, Thomas, Ulrich Schmitt, and Martin A. Suhm. "FTIR-spectroscopy of molecular clusters in pulsed supersonic slit-jet expansions​." ​Physical Chemistry, Chemical Physics, vol. 1, no. 24, ​1999, pp. 5573​-5582​, ​doi: 10.1039/a907264k. 
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  • 2000 | Journal Article
    ​ ​Raveendran, P., et al. "Exploring a hydrogen-bond terminus: spectroscopy of eucalyptol-alcohol clusters​." ​Physical Chemistry Chemical Physics, vol. 2, no. 16, ​2000, pp. 3555​-3563​, ​doi: 10.1039/b003024o. 
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  • 2000 | Journal Article
    ​ ​Goos, E., et al. "Laser powered homogeneous pyrolysis of butane initiated by methyl radicals in a quasi-wall-free reactor at 750-1000 K​." ​Physical Chemistry Chemical Physics, vol. 2, no. 22, ​2000, pp. 5127​-5132​, ​doi: 10.1039/b005219l. 
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  • 2000 | Journal Article
    ​ ​Dashevskaya, Elena I., et al. "Classical diffusion model of vibrational predissociation of van der Waals complexes: truncated mean first passage time approximation​." ​Physical Chemistry Chemical Physics, vol. 2, no. 10, ​2000, pp. 2251​-2259​, ​doi: 10.1039/a909894a. 
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  • 2000 | Journal Article
    ​ ​Wittkopp, A., et al. "Is SH4, the simplest 10-S-4 sulfurane, observable?​." ​Physical Chemistry Chemical Physics, vol. 2, no. 10, ​2000, pp. 2239​-2244​, ​doi: 10.1039/b000597p. 
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  • 2000 | Journal Article
    ​ ​Hahn, J., Klaus Luther, and Juergen Troe. "Experimental and theoretical study of the temperature and pressure dependences of the recombination reactions O+NO2(+M) -> NO3(+M) and NO2+NO3(+M) -> N2O5(+M)​." ​Physical Chemistry Chemical Physics, vol. 2, no. 22, ​2000, pp. 5098​-5104​, ​doi: 10.1039/b005756h. 
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  • 2000 | Journal Article
    ​ ​Harding, L. B., Juergen Troe, and Vladimir G. Ushakov. "Classical trajectory calculations of the high pressure limiting rate constants and of specific rate constants for the reaction H+O-2 -> HO2: dynamic isotope effects between tritium plus O-2 and muonium plus O-2​." ​Physical Chemistry Chemical Physics, vol. 2, no. 4, ​2000, pp. 631​-642​, ​doi: 10.1039/a908929b. 
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  • 2000 | Journal Article | Research Paper
    ​ ​Steinem, Claudia, Hans-Joachim Galla, and Andreas Janshoff. "Interaction of melittin with solid supported membranes​." ​Physical Chemistry Chemical Physics, vol. 2, no. 20, ​2000, pp. 4580​-4585​, ​doi: 10.1039/b003865m. 
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  • 2001 | Conference Paper
    ​ ​Charvat, A., et al. "Direct observation of intramolecular vibrational energy redistribution of selectively excited CH2I2 and C3H5I molecules in solution​." ​Physical Chemistry Chemical Physics, vol. 3, no. 12, ​2001, pp. 2230​-2240​. ​doi: 10.1039/b100057h. 
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  • 2001 | Conference Paper
    ​ ​Dashevskaya, Elena I., et al. "Classical diffusion model of vibrational predissociation of van der Waals complexes - Part II. Comparison with trajectory calculations and analytical approximations​." ​Physical Chemistry Chemical Physics, vol. 3, no. 12, ​2001, pp. 2315​-2324​. ​doi: 10.1039/b009299l. 
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  • 2001 | Conference Paper
    ​ ​Grigoleit, U., et al. "Collisional energy transfer of highly vibrationally excited toluene and pyrazine: Transition probabilities and relaxation pathways from KCSI experiments and trajectory calculations​." ​Physical Chemistry Chemical Physics, vol. 3, no. 12, ​2001, pp. 2191​-2202​. ​doi: 10.1039/b100151p. 
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  • 2001 | Journal Article
    ​ ​Botschwina, Peter, and Hermann Stoll. "The hydrogen-bonded cluster anions Br-center dot center dot center dot HCCH and I-center dot center dot center dot HCCH: results of coupled cluster calculations​." ​Physical Chemistry Chemical Physics, vol. 3, no. 11, ​2001, pp. 1965​-1972​, ​doi: 10.1039/b100549i. 
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  • 2001 | Conference Paper
    ​ ​Hauschildt, J., et al. "Unimolecular decay of the Cl-center dot center dot center dot CH3Cl complex: Influence of symmetry breaking​." ​Physical Chemistry Chemical Physics, vol. 3, no. 12, ​2001, pp. 2275​-2281​. ​doi: 10.1039/b009879p. 
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  • 2001 | Conference Paper
    ​ ​Taubmann, G., and S. Schmatz. "Numbers and densities of states and partition functions from an efficient approach to phase space integration​." ​Physical Chemistry Chemical Physics, vol. 3, no. 12, ​2001, pp. 2296​-2305​. ​doi: 10.1039/b009788h. 
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  • 2001 | Journal Article
    ​ ​Kunzmann, M. K., et al. "The formation of N(2)O nanoparticles in a collisional cooling cell between 4 and 110 K​." ​Physical Chemistry Chemical Physics, vol. 3, no. 17, ​2001, pp. 3742​-3749​, ​doi: 10.1039/b104048k. 
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  • 2001 | Journal Article | Letter Note
    ​ ​Harding, L. B., Juergen Troe, and Vladimir G. Ushakov. "Comment on "On the high pressure rate constants for the H/Mu+O-2 addition reactions' by J. M. C. Marques and A. J. C. Varandas, Phys. Chem. Chem. Phys., 2001, 3, 505​." ​Physical Chemistry Chemical Physics, vol. 3, no. 13, ​2001, pp. 2630​-2631​, ​doi: 10.1039/b102050l. 
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  • 2001 | Journal Article
    ​ ​Borho, N., T. Haber, and Martin A. Suhm. "Chiral self-recognition in the gas phase: the case of glycidol dimers​." ​Physical Chemistry Chemical Physics, vol. 3, no. 11, ​2001, pp. 1945​-1948​, ​doi: 10.1039/b102382a. 
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  • 2001 | Conference Paper
    ​ ​Hack, W., et al. "Mechanism of the 1-C4H9+O reaction and the kinetics of the intermediate 1-C4H9O radical​." ​Physical Chemistry Chemical Physics, vol. 3, no. 12, ​2001, pp. 2365​-2371​. ​doi: 10.1039/b100149n. 
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  • 2001 | Journal Article | Letter Note
    ​ ​Luther, Klaus, J. Schroeder, and Juergen Troe. "Competitive processes in vibrationally highly excited molecules - International Bunsen Discussion Meeting of the Deutsche Bunsen-Gesellschaft fur Physikalische Chemie, Gottingen, 4-7 October, 2000​." ​Physical Chemistry Chemical Physics, vol. 3, no. 12, ​2001, . ​
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  • 2002 | Journal Article
    ​ ​Borho, N., and Martin A. Suhm. "Glycidol dimer: anatomy of a molecular handshake​." ​Physical Chemistry Chemical Physics, vol. 4, no. 12, ​2002, pp. 2721​-2732​, ​doi: 10.1039/b111123j. 
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  • 2002 | Journal Article
    ​ ​Dashevskaya, Elena I., et al. "Classical diffusion model of vibrational predissociation of van der Waals complexes - Part III. Comparison with quantum calculations​." ​Physical Chemistry Chemical Physics, vol. 4, no. 14, ​2002, pp. 3330​-3340​, ​doi: 10.1039/b200568a. 
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  • 2002 | Journal Article
    ​ ​Kappel, C., Klaus Luther, and Juergen Troe. "Shock wave study of the unimolecular dissociation of H2O2 in its falloff range and of its secondary reactions​." ​Physical Chemistry Chemical Physics, vol. 4, no. 18, ​2002, pp. 4392​-4398​, ​doi: 10.1039/b204364e. 
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  • 2002 | Conference Paper
    ​ ​Adams, S., and J. Swenson. "Bond valence analysis of transport pathways in RMC models of fast ion conducting glasses​." ​Physical Chemistry Chemical Physics, vol. 4, no. 14, ​2002, pp. 3179​-3184​. ​doi: 10.1039/b111310k. 
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  • 2002 | Journal Article
    ​ ​Chazallon, B., et al. "Anharmonicity and guest-host coupling in clathrate hydrates​." ​Physical Chemistry Chemical Physics, vol. 4, no. 19, ​2002, pp. 4809​-4816​, ​doi: 10.1039/b202464k. 
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  • 2002 | Conference Paper
    ​ ​Goos, E., et al. "Laser powered homogeneous pyrolysis of ethyne, propyne, and propadiene initiated by methyl radicals: formation and degradation of hydrocarbons at 800-950 K​." ​Physical Chemistry Chemical Physics, vol. 4, no. 11, ​2002, pp. 2011​-2018​. ​doi: 10.1039/b111643f. 
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  • 2002 | Journal Article
    ​ ​Weimann, M., M. Farnik, and Martin A. Suhm. "A first glimpse at the acidic proton vibrations in HCl-water clusters via supersonic jet FTIR spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 4, no. 16, ​2002, pp. 3933​-3937​, ​doi: 10.1039/b204840j. 
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  • 2003 | Journal Article
    ​ ​Dashevskaya, Elena I., et al. "Energy dependence of the intramultiplet mixing cross section in Hg-N(2) collisions: Conical intersection mechanism, indication at tunneling and interference​." ​Physical Chemistry Chemical Physics, vol. 5, no. 6, ​2003, pp. 1198​-1204​, ​doi: 10.1039/b211439a. 
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  • 2003 | Journal Article
    ​ ​Haber, T.. "FTIR-spectroscopy of isolated and argon coated (HBr)(n <= 4) clusters in supersonic slit-jet expansions​." ​Physical Chemistry Chemical Physics, vol. 5, no. 7, ​2003, pp. 1365​-1369​, ​doi: 10.1039/b212435a. 
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  • 2003 | Journal Article
    ​ ​Margules, L., et al. "The rotational spectrum up to 1 THz and the molecular structure of thiomethylium, HCS​." ​Physical Chemistry Chemical Physics, vol. 5, no. 13, ​2003, pp. 2770​-2773​, ​doi: 10.1039/b303260d. 
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  • 2003 | Review
    ​ ​Botschwina, Peter. "Spectroscopic properties of interstellar molecules: Theory and experiment​." ​Physical Chemistry Chemical Physics, vol. 5, no. 16, ​2003, pp. 3337​-3348​, ​doi: 10.1039/b303753n. 
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  • 2003 | Journal Article
    ​ ​Emmeluth, C., and Martin A. Suhm. "A chemical approach towards the spectroscopy of carboxylic acid dimer isomerism​." ​Physical Chemistry Chemical Physics, vol. 5, no. 15, ​2003, pp. 3094​-3099​, ​doi: 10.1039/b303816e. 
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  • 2003 | Journal Article
    ​ ​Oum, K., et al. "Observation of unique pressure effects in the combination reaction of benzyl radicals in the gas to liquid transition region​." ​Physical Chemistry Chemical Physics, vol. 5, no. 14, ​2003, pp. 2931​-2933​, ​doi: 10.1039/b305954e. 
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  • 2003 | Conference Paper
    ​ ​Oum, K., et al. "On-line and in situ optical detection of particles of organic molecules formed by rapid expansion of supercritical solutions (RESS) of CO2​." ​Physical Chemistry Chemical Physics, vol. 5, no. 24, ​2003, pp. 5467​-5471​. ​doi: 10.1039/b312040f. 
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  • 2003 | Journal Article
    ​ ​Bizzocchi, L., C. Degli Esposti, and Peter Botschwina. "Vibrationally excited states of HC5P: millimetre-wave spectroscopy and coupled cluster calculations​." ​Physical Chemistry Chemical Physics, vol. 5, no. 19, ​2003, pp. 4090​-4095​, ​doi: 10.1039/b307069g. 
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  • 2003 | Journal Article
    ​ ​Kling, M., and S. Schmatz. "Decarboxylation of carbonyloxy radicals: a density functional study​." ​Physical Chemistry Chemical Physics, vol. 5, no. 18, ​2003, pp. 3891​-3896​, ​doi: 10.1039/b304544g. 
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  • 2004 | Conference Paper
    ​ ​Hermsdorf, D., et al. "Infrared spectra of phenanthrene particles generated by pulsed rapid expansion of CO2 solutions​." ​Physical Chemistry Chemical Physics, vol. 6, no. 19, ​2004, pp. 4652​-4657​. ​doi: 10.1039/b406193d. 
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  • 2004 | Conference Paper
    ​ ​Liu, Y. Q., Martin A. Suhm, and Peter Botschwina. "Supersonic jet FTIR and quantum chemical investigations of ammonia/acetylene clusters​." ​Physical Chemistry Chemical Physics, vol. 6, no. 19, ​2004, pp. 4642​-4651​. ​doi: 10.1039/b408919g. 
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  • 2004 | Conference Paper
    ​ ​Botschwina, Peter, C. Hennig, and S. Schmatz. "Quantum dynamics of the complex-forming S(N)2 reaction Cl-+CD3Cl ' -> ClCD3 + Cl '(-) on a four-dimensional coupled-cluster potential surface​." ​Physical Chemistry Chemical Physics, vol. 6, no. 19, ​2004, pp. 4630​-4635​. ​doi: 10.1039/b408965k. 
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  • 2004 | Conference Paper
    ​ ​Farnik, M., et al. "Size-selective vibrational spectroscopy of methyl glycolate clusters: comparison with ragout-jet FTIR spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 6, no. 19, ​2004, pp. 4614​-4620​. ​doi: 10.1039/b408506j. 
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  • 2004 | Journal Article
    ​ ​Kuhs, Werner F., et al. "Ice perfection and onset of anomalous preservation of gas hydrates​." ​Physical Chemistry Chemical Physics, vol. 6, no. 21, ​2004, pp. 4917​-4920​, ​doi: 10.1039/b412866d. 
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  • 2004 | Journal Article
    ​ ​Buback, M., et al. "Photo-induced decomposition of organic peroxides: Ultrafast formation and decarboxylation of carbonyloxy radicals​." ​Physical Chemistry Chemical Physics, vol. 6, no. 24, ​2004, pp. 5441​-5455​, ​doi: 10.1039/b410875b. 
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  • 2004 | Journal Article
    ​ ​Bizzocchi, L., C. Degli Esposti, and Peter Botschwina. "Vibrationally excited states of NC4P: millimetre-wave spectroscopy and coupled cluster calculations​." ​Physical Chemistry Chemical Physics, vol. 6, no. 1, ​2004, pp. 46​-50​, ​doi: 10.1039/b311745f. 
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  • 2004 | Journal Article
    ​ ​Luther, Klaus, et al. "Recombination of benzyl radicals: dependence on the bath gas, temperature, and pressure​." ​Physical Chemistry Chemical Physics, vol. 6, no. 16, ​2004, pp. 4133​-4141​, ​doi: 10.1039/b407074g. 
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  • 2004 | Journal Article
    ​ ​Häber, Thomas, et al. "The performance of the semi-empirical AM1 method on small and nanometre-sized N2O clusters​." ​Physical Chemistry Chemical Physics, vol. 6, no. 21, ​2004, pp. 4939​-4949​, ​doi: 10.1039/b409258a. 
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  • 2004 | Journal Article
    ​ ​Hahn, J., et al. "Pressure dependence of the reaction H+O-2 (+Ar) -> HO2 (+Ar) in the range 1-900 bar and 300-700 K​." ​Physical Chemistry Chemical Physics, vol. 6, no. 9, ​2004, pp. 1997​-1999​, ​doi: 10.1039/b404146a. 
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  • 2004 | Journal Article
    ​ ​Borho, N., and Martin A. Suhm. "Tailor-made aggregates of alpha-hydroxy esters in supersonic jets​." ​Physical Chemistry Chemical Physics, vol. 6, no. 10, ​2004, pp. 2885​-2890​, ​doi: 10.1039/b315765b. 
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  • 2004 | Journal Article
    ​ ​Hoyermann, Karlheinz, Fabian Mauss, and Thomas Zeuch. "A detailed chemical reaction mechanism for the oxidation of hydrocarbons and its application to the analysis of benzene formation in fuel-rich premixed laminar acetylene and propene flames​." ​Physical Chemistry Chemical Physics, vol. 6, no. 14, ​2004, pp. 3824​-3835​, ​doi: 10.1039/b404632c. 
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  • 2004 | Journal Article
    ​ ​Liu, Y. Q., M. Weimann, and Martin A. Suhm. "Extension of panoramic cluster jet spectroscopy into the far infrared: Low frequency modes of methanol and water clusters​." ​Physical Chemistry Chemical Physics, vol. 6, no. 13, ​2004, pp. 3315​-3319​, ​doi: 10.1039/b402379j. 
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  • 2004 | Journal Article
    ​ ​Lenzer, T., and Klaus Luther. "On the accuracy of collisional energy transfer parameters for reaction kinetics applications: detailed evaluation of data from direct experiments​." ​Physical Chemistry Chemical Physics, vol. 6, no. 5, ​2004, pp. 955​-959​, ​doi: 10.1039/b313922k. 
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  • 2005 | Journal Article
    ​ ​Luther, Klaus, K. Oum, and Juergen Troe. "The role of the radical-complex mechanism in the ozone recombination/dissociation reaction​." ​Physical Chemistry Chemical Physics, vol. 7, no. 14, ​2005, pp. 2764​-2770​, ​doi: 10.1039/b504178c. 
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  • 2005 | Journal Article
    ​ ​Kopczynski, M., et al. "Ultrafast transient lens spectroscopy of various C-40 carotenoids: lycopene, beta-carotene, (3R,3 ' R)- zeaxanthin, (3R,3 ' R,6 ' R)-lutein, echinenone, canthaxanthin, and astaxanthin​." ​Physical Chemistry Chemical Physics, vol. 7, no. 14, ​2005, pp. 2793​-2803​, ​doi: 10.1039/b506574g. 
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  • 2005 | Journal Article
    ​ ​Frerichs, H., et al. "Multiplex detection of collisional energy transfer using KCSFI​." ​Physical Chemistry Chemical Physics, vol. 7, no. 4, ​2005, pp. 620​-626​, ​doi: 10.1039/b417344a. 
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  • 2005 | Conference Paper
    ​ ​Troe, Juergen. "Temperature and pressure dependence of ion-molecule association and dissociation reactions: the N-2(+)+N-2(+M)double left right arrow N-4(+)(+M) reaction​." ​Physical Chemistry Chemical Physics, vol. 7, no. 7, ​2005, pp. 1560​-1567​. ​doi: 10.1039/b417945p. 
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  • 2005 | Conference Paper
    ​ ​Hennig, C., and S. Schmatz. "Reduced-dimensionality calculation of reaction cross sections and rate constant for the complex-forming gas-phase S(N)2 reaction Cl-+CH3Cl ' -> ClCH3+Cl '(-)​." ​Physical Chemistry Chemical Physics, vol. 7, no. 7, ​2005, pp. 1552​-1559​. ​doi: 10.1039/b417288d. 
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  • 2005 | Conference Paper
    ​ ​Nikitin, E. E., and Juergen Troe. "Dynamics of ion-molecule complex formation at very low energies and temperatures​." ​Physical Chemistry Chemical Physics, vol. 7, no. 7, ​2005, pp. 1540​-1551​. ​doi: 10.1039/b416401f. 
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  • 2005 | Journal Article
    ​ ​Krekeler, C., M. Mladenovic, and Peter Botschwina. "A theoretical investigation of the vibrational states of HCO2- and its isotopomers​." ​Physical Chemistry Chemical Physics, vol. 7, no. 5, ​2005, pp. 882​-887​, ​doi: 10.1039/b417942k. 
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  • 2005 | Journal Article
    ​ ​Bonnamy, A., et al. "IR signature of (CO2)(N) clusters: size, shape and structural effects​." ​Physical Chemistry Chemical Physics, vol. 7, no. 5, ​2005, pp. 963​-969​, ​doi: 10.1039/b414670k. 
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  • 2005 | Journal Article
    ​ ​Emmeluth, C., et al. "Combined jet relaxation and quantum chemical study of the pairing preferences of ethanol​." ​Physical Chemistry Chemical Physics, vol. 7, no. 5, ​2005, pp. 991​-997​, ​doi: 10.1039/b417870j. 
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  • 2005 | Conference Paper
    ​ ​Viggiano, Albert A., A. I. Fernandez, and Juergen Troe. "Ion-molecule kinetics at 15-700 Torr​." ​Physical Chemistry Chemical Physics, vol. 7, no. 7, ​2005, pp. 1533​-1539​. ​doi: 10.1039/b417454b. 
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  • 2005 | Journal Article
    ​ ​Hack, W., et al. "Mechanism and rate of the reaction CH3+O- revisited​." ​Physical Chemistry Chemical Physics, vol. 7, no. 9, ​2005, pp. 1977​-1984​, ​doi: 10.1039/b419137d. 
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  • 2006 | Journal Article
    ​ ​Nikitin, E. E., and J. Troe. "Restoring detailed balance in the Landau–Teller probabilities for collision-induced vibrational transitions​." ​Physical Chemistry, Chemical Physics, vol. 8, no. 17, ​2006, pp. 2012​-2016​, ​doi: 10.1039/B517843F. 
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  • 2006 | Journal Article
    ​ ​Scharge, Tina, Thomas Haeber, and Martin A. Suhm. "Quantitative chirality synchronization in trifluoroethanol dimers​." ​Physical Chemistry Chemical Physics, vol. 8, no. 40, ​2006, pp. 4664​-4667​, ​doi: 10.1039/b609868a. 
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  • 2006 | Journal Article
    ​ ​Zielke, Philipp, and Martin A. Suhm. "Concerted proton motion in hydrogen-bonded trimers: A spontaneous Raman scattering perspective​." ​Physical Chemistry Chemical Physics, vol. 8, no. 24, ​2006, pp. 2826​-2830​, ​doi: 10.1039/b605926k. 
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  • 2006 | Journal Article
    ​ ​Farnik, M., et al. "Size-selected methyl lactate clusters: fragmentation and spectroscopic fingerprints of chiral recognition​." ​Physical Chemistry Chemical Physics, vol. 8, no. 10, ​2006, pp. 1148​-1158​, ​doi: 10.1039/b514117f. 
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  • 2006 | Journal Article
    ​ ​Haramagatti, Chandrashekara Rajashekara, et al. "Pressure induced phase transitions of TTAB-micellar solutions studied by SANS and Raman spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 8, no. 8, ​2006, pp. 994​-1000​, ​doi: 10.1039/b513588e. 
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  • 2006 | Journal Article
    ​ ​Wild, Duncan A., et al. "Extremely strong solvent dependence of the S-1 -> S-0 internal conversion lifetime of 12 '-apo-beta-caroten-12 '-al​." ​Physical Chemistry Chemical Physics, vol. 8, no. 21, ​2006, pp. 2499​-2505​, ​doi: 10.1039/b601669c. 
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  • 2006 | Journal Article
    ​ ​Borho, Nicole, et al. "Intra- vs. intermolecular hydrogen bonding: dimers of alpha-hydroxyesters with methanol​." ​Physical Chemistry Chemical Physics, vol. 8, no. 38, ​2006, pp. 4449​-4460​, ​doi: 10.1039/b609725a. 
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  • 2006 | Journal Article
    ​ ​Wassermann, Tobias N., et al. "Proton tunneling estimates for malonaldehyde vibrations from supersonic jet and matrix quenching experiments​." ​Physical Chemistry Chemical Physics, vol. 8, no. 20, ​2006, pp. 2344​-2348​, ​doi: 10.1039/b602319n. 
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  • 2006 | Journal Article
    ​ ​Seurre, N., et al. "Chiral recognition between lactic acid derivatives and an aromatic alcohol in a supersonic expansion: electronic and vibrational spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 8, no. 8, ​2006, pp. 1007​-1016​, ​doi: 10.1039/b514091a. 
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  • 2007 | Journal Article | Research Paper
    ​ ​Suhm, M. A.. "Spectroscopic probes of molecular recognition​." ​Physical Chemistry, Chemical Physics, vol. 9, no. 32, ​2007, pp. 4443​-4443​, ​doi: 10.1039/b711142h. 
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  • 2007 | Journal Article
    ​ ​Zielke, Philipp, and Martin A. Suhm. "Raman jet spectroscopy of formic acid dimers: low frequency vibrational dynamics and beyond​." ​Physical Chemistry Chemical Physics, vol. 9, no. 32, ​2007, pp. 4528​-4534​, ​doi: 10.1039/b706094g. 
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  • 2007 | Journal Article
    ​ ​Scharge, Tina, et al. "A peptide co-solvent under scrutiny: self-aggregation of 2,2,2-trifluoroethanol​." ​Physical Chemistry, Chemical Physics, vol. 9, no. 32, ​2007, pp. 4472​-4490​, ​doi: 10.1039/b705498j. 
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  • 2007 | Conference Paper
    ​ ​Charvat, Ales, and Bernd Abel. "How to make big molecules fly out of liquid water: applications, features and physics of laser assisted liquid phase dispersion mass spectrometry​." ​Physical Chemistry Chemical Physics, vol. 9, no. 26, ​2007, pp. 3335​-3360​. ​doi: 10.1039/b615114k. 
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  • 2007 | Journal Article
    ​ ​Kandratsenka, Alexander, et al. "Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling​." ​Physical Chemistry Chemical Physics, vol. 9, no. 14, ​2007, pp. 1688​-1692​, ​doi: 10.1039/b618452a. 
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  • 2007 | Journal Article
    ​ ​Ahmed, Syed Sayeed, et al. "A comprehensive and compact n-heptane oxidation model derived using chemical lumping​." ​Physical Chemistry Chemical Physics, vol. 9, no. 9, ​2007, pp. 1107​-1126​, ​doi: 10.1039/b614712g. 
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  • 2007 | Journal Article
    ​ ​Dashevskaya, Elena I., et al. "Low temperature capture of open shell dipolar molecules by ions: the capture of rotationally selected NO((2)Pi(1/2), j) by C+​." ​Physical Chemistry Chemical Physics, vol. 9, no. 13, ​2007, pp. 1559​-1567​, ​doi: 10.1039/b615826a. 
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  • 2008 | Review
    ​ ​Nikitin, E. E., and Juergen Troe. "70 years of Landau-Teller theory for collisional energy transfer. Semiclassical three-dimensional generalizations of the classical collinear model​." ​Physical Chemistry Chemical Physics, vol. 10, no. 11, ​2008, pp. 1483​-1501​, ​doi: 10.1039/b715095d. 
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  • 2008 | Journal Article
    ​ ​Reichardt, Christian, Joerg Schroeder, and Dirk Schwarzer. "The photodecomposition mechanism of tert-butyl-9-methylfluorene-9-percarboxylate: new insight from femtosecond IR spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 10, no. 34, ​2008, pp. 5218​-5224​, ​doi: 10.1039/b806359a. 
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  • 2008 | Journal Article
    ​ ​Nedic, Marija, et al. "Raman spectroscopic evidence for the most stable water/ethanol dimer and for the negative mixing energy in cold water/ethanol trimers​." ​Physical Chemistry Chemical Physics, vol. 10, no. 39, ​2008, pp. 5953​-5956​, ​doi: 10.1039/b811154e. 
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  • 2008 | Journal Article
    ​ ​Dauster, Ingo, et al. "N-H center dot center dot center dot pi interactions in pyrroles: systematic trends from the vibrational spectroscopy of clusters​." ​Physical Chemistry Chemical Physics, vol. 10, no. 19, ​2008, pp. 2827​-2835​, ​doi: 10.1039/b717823a. 
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  • 2008 | Journal Article
    ​ ​Fernandes, Ravi X., et al. "Experimental and modelling study of the recombination reaction H+O(2)(+ M) -> HO(2)(+ M) between 300 and 900 K, 1.5 and 950 bar, and in the bath gases M = He, Ar, and N(2)​." ​Physical Chemistry Chemical Physics, vol. 10, no. 29, ​2008, pp. 4313​-4321​, ​doi: 10.1039/b804553d. 
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  • 2008 | Journal Article
    ​ ​Stalke, Sebastian, et al. "Solvent-dependent ultrafast internal conversion dynamics of n '-apo-beta-carotenoic-n '-acids (n=8, 10, 12)​." ​Physical Chemistry Chemical Physics, vol. 10, no. 16, ​2008, pp. 2180​-2188​, ​doi: 10.1039/b720037d. 
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  • 2008 | Journal Article
    ​ ​Dauster, Ingo, et al. "Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia​." ​Physical Chemistry Chemical Physics, vol. 10, no. 1, ​2008, pp. 83​-95​, ​doi: 10.1039/b711568g. 
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  • 2008 | Journal Article
    ​ ​Borba, Ana, et al. "Dimer formation in nicotinamide and picolinamide in the gas and condensed phases probed by infrared spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 10, no. 46, ​2008, pp. 7010​-7021​, ​doi: 10.1039/b810002k. 
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  • 2008 | Journal Article
    ​ ​Dashevskaya, Elena I., et al. "Modelling low-energy electron-molecule capture processes​." ​Physical Chemistry Chemical Physics, vol. 10, no. 9, ​2008, pp. 1270​-1276​, ​doi: 10.1039/b713530k. 
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  • 2008 | Journal Article
    ​ ​Troe, Juergen, and Vladimir G. Ushakov. "SACM/CT Study of the dissociation/recombination dynamics of hydrogen peroxide on an ab initio potential energy surface - Part II. Specific rate constants k(E,J), thermal rate constants k(infinity)(T), and lifetime distributions​." ​Physical Chemistry Chemical Physics, vol. 10, no. 26, ​2008, pp. 3915​-3924​, ​doi: 10.1039/b803320j. 
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  • 2008 | Journal Article
    ​ ​Reichardt, Christian, et al. "Unravelling the ultrafast photodecomposition mechanism of dibenzoyl peroxide in solution by time-resolved IR spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 10, no. 12, ​2008, pp. 1662​-1668​, ​doi: 10.1039/b718501d. 
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  • 2009 | Journal Article
    ​ ​Mognetti, B. M., et al. "Coarse-graining dipolar interactions in simple fluids and polymer solutions: Monte Carlo studies of the phase behavior​." ​Physical Chemistry Chemical Physics, vol. 11, no. 12, ​2009, pp. 1923​-1933​, ​doi: 10.1039/b818020m. 
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  • 2009 | Journal Article
    ​ ​Brotchie, Adam, et al. "Cavitation activation by dual-frequency ultrasound and shock waves​." ​Physical Chemistry Chemical Physics, vol. 11, no. 43, ​2009, pp. 10029​-10034​, ​doi: 10.1039/b912725a. 
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  • 2009 | Journal Article
    ​ ​Hesse, Susanne, and Martin A. Suhm. "On the low volatility of cyclic esters: an infrared spectroscopy comparison between dimers of gamma-butyrolactone and methyl propionate​." ​Physical Chemistry, Chemical Physics, vol. 11, no. 47, ​2009, pp. 11157​-11170​, ​doi: 10.1039/b915419a. 
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  • 2009 | Journal Article
    ​ ​Elisbihani, K., Holger Gibhardt, and Goetz Eckold. "Switching behaviour of modulated ferroelectrics I: kinetics of the field-induced lock-in transition of Rb2ZnCl4​." ​Physical Chemistry Chemical Physics, vol. 11, no. 17, ​2009, pp. 3168​-3175​, ​doi: 10.1039/b902368b. 
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  • 2009 | Journal Article
    ​ ​Dashevskaya, Elena I., et al. "Threshold behavior and analytical fitting of partial wave capture probabilities for attractive R-n potentials​." ​Physical Chemistry Chemical Physics, vol. 11, no. 41, ​2009, pp. 9364​-9369​, ​doi: 10.1039/b912679a. 
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  • 2009 | Journal Article
    ​ ​Dvorak, Miroslav, et al. "Ultrafast intramolecular electronic energy transfer in rigidly linked aminopyrenyl-aminobenzanthronyl dyads-a femtosecond study​." ​Physical Chemistry Chemical Physics, vol. 11, no. 2, ​2009, pp. 317​-323​, ​doi: 10.1039/b813232a. 
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  • 2009 | Journal Article
    ​ ​Mueller, Marcus, Kostas Ch. Daoulas, and Yuki Norizoe. "Computing free energies of interfaces in self-assembling systems​." ​Physical Chemistry Chemical Physics, vol. 11, no. 12, ​2009, pp. 2087​-2097​, ​doi: 10.1039/b818111j. 
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  • 2009 | Journal Article
    ​ ​Dittrich, Birger, et al. "Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation​." ​Physical Chemistry Chemical Physics, vol. 11, no. 15, ​2009, pp. 2601​-2609​, ​doi: 10.1039/b819157c. 
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  • 2010 | Journal Article
    ​ ​Aponte-Santamaría, Camilo, Jochen S. Hub, and Bert L. de Groot. "Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporin​." ​Physical Chemistry, Chemical Physics, vol. 12, no. 35, ​2010, p. 10246​, ​doi: 10.1039/c004384m. 
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  • 2010 | Journal Article
    ​ ​Bennati, Marina, et al. "Water 1H relaxation dispersion analysis on a nitroxide radical provides information on the maximal signal enhancement in Overhauser dynamic nuclear polarization experiments​." ​Physical Chemistry, Chemical Physics, vol. 12, no. 22, ​2010, p. 5902​, ​doi: 10.1039/c002304n. 
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  • 2010 | Journal Article
    ​ ​Larsen, Rene Wugt, and Martin A. Suhm. "The benefits of alternation and alkylation: large amplitude hydrogen bond librational modes of alcohol trimers and tetramers​." ​Physical Chemistry Chemical Physics, vol. 12, no. 29, ​2010, pp. 8152​-8157​, ​doi: 10.1039/b925578h. 
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  • 2010 | Journal Article
    ​ ​Humpolíčková, Jana, et al. "Dynamic saturation optical microscopy: employing dark-state formation kinetics for resolution enhancement​." ​Physical Chemistry Chemical Physics, vol. 12, no. 39, ​2010, pp. 12457​-12465​, ​doi: 10.1039/c0cp00059k. 
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  • 2010 | Journal Article
    ​ ​Türke, Maria-Teresa, et al. "Optimization of dynamic nuclear polarization experiments in aqueous solution at 15 MHz/9.7 GHz: a comparative study with DNP at 140 MHz/94 GHz​." ​Physical Chemistry, Chemical Physics, vol. 12, no. 22, ​2010, p. 5893​, ​doi: 10.1039/c002814m. 
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  • 2010 | Journal Article
    ​ ​Luettschwager, Nils O. B., et al. "Periodic bond breaking and making in the electronic ground state on a sub-picosecond timescale: OH bending spectroscopy of malonaldehyde in the frequency domain at low temperature​." ​Physical Chemistry, Chemical Physics, vol. 12, no. 29, ​2010, pp. 8201​-8207​, ​doi: 10.1039/c002345k. 
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  • 2010 | Journal Article
    ​ ​Lenzer, Thomas, et al. "Assignment of carotene S state features to the vibrationally hot ground electronic state​." ​Physical Chemistry Chemical Physics, vol. 12, no. 31, ​2010, pp. 8832​-8839​, ​doi: 10.1039/b925071a. 
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  • 2010 | Journal Article
    ​ ​Trivella, A., et al. "New insights into the photodynamics of acetylacetone: isomerization and fragmentation in low-temperature matrixes​." ​Physical Chemistry Chemical Physics, vol. 12, no. 29, ​2010, pp. 8300​-8310​, ​doi: 10.1039/c003593a. 
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  • 2010 | Journal Article
    ​ ​Michielsen, Bart, et al. "The complexes of halothane with benzene: the temperature dependent direction of the complexation shift of the aliphatic C-H stretching​." ​Physical Chemistry, Chemical Physics, vol. 12, no. 42, ​2010, pp. 14034​-14044​, ​doi: 10.1039/c0cp00771d. 
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  • 2010 | Journal Article | Research Paper
    ​ ​Krahn, Alexander, et al. "Shuttle DNP spectrometer with a two-center magnet​." ​Physical Chemistry Chemical Physics, vol. 12, no. 22, ​2010, pp. 5830​-5840​, ​doi: 10.1039/c003381b. 
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  • 2010 | Journal Article
    ​ ​Nikitin, E. E., and Juergen Troe. "Electron capture by finite-size polarizable molecules and clusters​." ​Physical Chemistry Chemical Physics, vol. 12, no. 31, ​2010, pp. 9012​-9017​, ​doi: 10.1039/c001519a. 
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  • 2010 | Journal Article
    ​ ​Hippler, Michael, Susanne Hesse, and Martin A. Suhm. "Quantum-chemical study and FTIR jet spectroscopy of CHCl3-NH3 association in the gas phase​." ​Physical Chemistry Chemical Physics, vol. 12, no. 41, ​2010, pp. 13555​-13565​, ​doi: 10.1039/c0cp00530d. 
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  • 2010 | Journal Article | Letter Note
    ​ ​Nesbitt, David J., and Martin A. Suhm. "Chemical dynamics of large amplitude motion​." ​Physical Chemistry Chemical Physics, vol. 12, no. 29, ​2010, , ​doi: 10.1039/c0cp90051f. 
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  • 2010 | Journal Article
    ​ ​Mata, Ricardo A.. "Application of high level wavefunction methods in quantum mechanics/molecular mechanics hybrid schemes​." ​Physical Chemistry, Chemical Physics, vol. 12, no. 19, ​2010, pp. 5041​-5052​, ​doi: 10.1039/b918608e. 
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  • 2010 | Journal Article
    ​ ​Hoyermann, Karlheinz, et al. "Rate coefficients for cycloalkyl plus O reactions and product branching in the decomposition of chemically activated cycloalkoxy radicals: an experimental and theoretical study​." ​Physical Chemistry Chemical Physics, vol. 12, no. 31, ​2010, pp. 8954​-8968​, ​doi: 10.1039/b925920a. 
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  • 2010 | Journal Article | Research Paper
    ​ ​Evers, Florian, et al. "Probing adsorption and aggregation of insulin at a poly(acrylic acid) brush​." ​Physical Chemistry, Chemical Physics, vol. 12, no. 17, ​2010, pp. 4375​-4382​, ​doi: 10.1039/b925134k. 
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  • 2011 | Journal Article
    ​ ​Türke, Maria-Teresa, and Marina Bennati. "Saturation factor of nitroxide radicals in liquid DNP by pulsed ELDOR experiments​." ​Physical Chemistry, Chemical Physics, vol. 13, no. 9, ​2011, p. 3630​, ​doi: 10.1039/c0cp02126a. 
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  • 2011 | Journal Article | 
    ​ ​LaRue, Jerry, et al. "Vibrationally promoted electron emission at a metal surface: electron kinetic energy distributions​." ​Physical Chemistry Chemical Physics, vol. 13, ​2011, pp. 97​-99​, ​doi: 10.1039/COCPO1626H. 
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  • 2011 | Journal Article | 
    ​ ​Golibrzuch, Kai, et al. "Ultrafast excited state dynamics and spectroscopy of 13,13 '-diphenyl-beta-carotene​." ​Physical Chemistry Chemical Physics, vol. 13, no. 13, ​2011, pp. 6340​-6351​, ​doi: 10.1039/c0cp02525a. 
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  • 2011 | Journal Article | 
    ​ ​Botschwina, Peter, Rainer B. Oswald, and Guntram Rauhut. "Explicitly correlated coupled cluster calculations for the propargyl cation (H2C3H+) and related species​." ​Physical Chemistry Chemical Physics, vol. 13, no. 17, ​2011, pp. 7921​-7929​, ​doi: 10.1039/c1cp20206e. 
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  • 2011 | Journal Article | 
    ​ ​Matsiev, Daniel, et al. "On the temperature dependence of electronically non-adiabatic vibrational energy transfer in molecule-surface collisions​." ​Physical Chemistry Chemical Physics, vol. 13, no. 18, ​2011, pp. 8153​-8162​, ​doi: 10.1039/c0cp01418d. 
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  • 2011 | Journal Article | 
    ​ ​Dom, Johan J. J., et al. "On the weakly C-H center dot center dot center dot pi hydrogen bonded complexes of sevoflurane and benzene​." ​Physical Chemistry, Chemical Physics, vol. 13, no. 31, ​2011, pp. 14142​-14152​, ​doi: 10.1039/c1cp20693a. 
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  • 2011 | Journal Article | 
    ​ ​Mueller, Marcus, et al. "Polymer-solid contacts described by soft, coarse-grained models​." ​Physical Chemistry Chemical Physics, vol. 13, no. 22, ​2011, pp. 10491​-10502​, ​doi: 10.1039/c0cp02868a. 
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  • 2011 | Journal Article | 
    ​ ​Nedic, Marija, et al. "A combined Raman- and infrared jet study of mixed methanol-water and ethanol-water clusters​." ​Physical Chemistry, Chemical Physics, vol. 13, no. 31, ​2011, pp. 14050​-14063​, ​doi: 10.1039/c1cp20182d. 
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  • 2011 | Journal Article | 
    ​ ​Otto, Katharina E., et al. "Temperature-dependent intensity anomalies in amino acid esters: weak hydrogen bonds in protected glycine, alanine and valine​." ​Physical Chemistry Chemical Physics, vol. 13, no. 31, ​2011, pp. 14119​-14130​, ​doi: 10.1039/c1cp20883g. 
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  • 2011 | Journal Article | 
    ​ ​Wolf, Jan Lennard, et al. "Pressure dependent mechanistic branching in the formation pathways of secondary organic aerosol from cyclic-alkene gas-phase ozonolysis​." ​Physical Chemistry Chemical Physics, vol. 13, no. 23, ​2011, pp. 10952​-10964​, ​doi: 10.1039/c0cp02499f. 
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  • 2011 | Journal Article | Letter Note | 
    ​ ​Suhm, Martin A., and M. Albrecht. "Comment on "Theoretical investigations into the enantiomeric and racemic forms of alpha-(trifluoromethyl)lactic acid' by R. Tonner, V. A. Soloshonok and P. Schwerdtfeger, Phys. Chem. Chem. Phys., 2011, 13, 811-817​." ​Physical Chemistry Chemical Physics, vol. 13, no. 9, ​2011, pp. 4159​-4160​, ​doi: 10.1039/c0cp02455d. 
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  • 2011 | Journal Article
    ​ ​Lohse, Peter W., et al. "Ultrafast photoinduced relaxation dynamics of the indoline dye D149 in organic solvents​." ​Physical Chemistry Chemical Physics, vol. 13, no. 43, ​2011, pp. 19632​-19640​, ​doi: 10.1039/c1cp22429h. 
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  • 2011 | Journal Article | 
    ​ ​Botschwina, Peter, Rainer B. Oswald, and Otto Dopfer. "Weak interactions in ion-ligand complexes of C3H3+ isomers: competition between H-bound and C-bound structures in c-C3H3+center dot L and H2CCCH+center dot L (L = Ne, Ar, N-2, CO2, and O-2)​." ​Physical Chemistry Chemical Physics, vol. 13, no. 31, ​2011, pp. 14163​-14175​, ​doi: 10.1039/c1cp20815b. 
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  • 2011 | Journal Article | 
    ​ ​Rahinov, Igor, et al. "Quantifying the breakdown of the Born-Oppenheimer approximation in surface chemistry​." ​Physical Chemistry Chemical Physics, vol. 13, no. 28, ​2011, pp. 12680​-12692​, ​doi: 10.1039/c1cp20356h. 
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  • 2011 | Journal Article | Letter Note
    ​ ​Herrebout, Wouter A., and Martin A. Suhm. "Weak hydrogen bonds - strong effects?​." ​Physical Chemistry Chemical Physics, vol. 13, no. 31, ​2011, pp. 13858​-13859​, ​doi: 10.1039/c1cp90110a. 
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  • 2011 | Journal Article | 
    ​ ​Kollipost, Franz, et al. "Dimers of cyclic carbonates: chirality recognition in battery solvents and energy storage​." ​Physical Chemistry, Chemical Physics, vol. 13, no. 31, ​2011, pp. 14176​-14182​, ​doi: 10.1039/c1cp21460h. 
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  • 2011 | Journal Article | Research Paper
    ​ ​Möller, Johannes, et al. "Dissolution of iron oxide nanoparticles inside polymer nanocapsules​." ​Physical Chemistry, Chemical Physics, vol. 13, no. 45, ​2011, pp. 20354​-20360​, ​doi: 10.1039/c1cp22161b. 
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  • 2012 | Journal Article
    ​ ​Türke, Maria-Teresa, et al. "Overhauser DNP with 15 N labelled Frémy's salt at 0.35 Tesla​." ​Physical Chemistry, Chemical Physics, vol. 14, no. 2, ​2012, pp. 502​-510​, ​doi: 10.1039/C1CP22332A. 
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  • 2012 | Journal Article | 
    ​ ​Schaefer, Tim, et al. "Vibrational energy relaxation of the ND-stretching vibration of NH2D in liquid NH3​." ​Physical Chemistry Chemical Physics, vol. 14, no. 33, ​2012, pp. 11651​-11656​, ​doi: 10.1039/c2cp41382e. 
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  • 2012 | Journal Article
    ​ ​Forck, Richard M., et al. "Size resolved infrared spectroscopy of Na(CH3OH)(n) (n=4-7) clusters in the OH stretching region: unravelling the interaction of methanol clusters with a sodium atom and the emergence of the solvated electron​." ​Physical Chemistry Chemical Physics, vol. 14, no. 9, ​2012, pp. 3004​-3016​, ​doi: 10.1039/c2cp23301k. 
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  • 2012 | Journal Article | 
    ​ ​Hennig, Carsten, and Stefan Schmatz. "Differential reaction cross sections from rotationally resolved quantum scattering calculations: application to gas-phase S(N)2 reactions​." ​Physical Chemistry Chemical Physics, vol. 14, no. 37, ​2012, pp. 12982​-12991​, ​doi: 10.1039/c2cp41141e. 
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  • 2012 | Journal Article | 
    ​ ​Lohse, Peter W., et al. "Dielectric relaxation and ultrafast transient absorption spectroscopy of [C(6)mim](+)[Tf2N](-)/acetonitrile mixtures​." ​Physical Chemistry Chemical Physics, vol. 14, no. 10, ​2012, pp. 3596​-3603​, ​doi: 10.1039/c2cp23704k. 
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  • 2012 | Journal Article | 
    ​ ​Fischer, Timo, Herre Jelger Risselada, and Richard L. C. Vink. "Membrane lateral structure: the influence of immobilized particles on domain size​." ​Physical Chemistry Chemical Physics, vol. 14, no. 42, ​2012, pp. 14500​-14508​, ​doi: 10.1039/c2cp41417a. 
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  • 2012 | Journal Article | 
    ​ ​Carlsson, Philip Thomas Michael, et al. "Pressure dependent aerosol formation from the cyclohexene gas-phase ozonolysis in the presence and absence of sulfur dioxide: a new perspective on the stabilisation of the initial clusters​." ​Physical Chemistry Chemical Physics, vol. 14, no. 33, ​2012, pp. 11695​-11705​, ​doi: 10.1039/c2cp40714k. 
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  • 2012 | Journal Article | 
    ​ ​Amann-Winkel, Katrin, et al. "Limits of metastability in amorphous ices: the neutron scattering Debye-Waller factor​." ​Physical Chemistry Chemical Physics, vol. 14, no. 47, ​2012, pp. 16386​-16391​, ​doi: 10.1039/c2cp42797d. 
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  • 2012 | Journal Article | 
    ​ ​Debnarova, Andrea, Simone Techert, and Stefan Schmatz. "Limitations of high-intensity soft X-ray laser fields for the characterisation of water chemistry: Coulomb explosion of the octamer water cluster​." ​Physical Chemistry Chemical Physics, vol. 14, no. 27, ​2012, pp. 9606​-9614​, ​doi: 10.1039/c2cp40598a. 
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  • 2012 | Journal Article | 
    ​ ​Michielsen, Bart, et al. "Solute-solvent interactions in cryosolutions: a study of halothane-ammonia complexes​." ​Physical Chemistry Chemical Physics, vol. 14, no. 18, ​2012, pp. 6469​-6478​, ​doi: 10.1039/c2cp40379j. 
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  • 2012 | Journal Article
    ​ ​Dieterich, Johannes M., Guido H. Clever, and Ricardo A. Mata. "A push-and-pull model for allosteric anion binding in cage complexes​." ​Physical Chemistry Chemical Physics, vol. 14, no. 37, ​2012, pp. 12746​-12749​, ​doi: 10.1039/c2cp41793f. 
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  • 2012 | Journal Article
    ​ ​Forck, Richard M., et al. "Structural diversity in sodium doped water trimers​." ​Physical Chemistry, Chemical Physics, vol. 14, no. 25, ​2012, pp. 9054​-9057​, ​doi: 10.1039/c2cp41066d. 
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  • 2012 | Journal Article
    ​ ​Hankache, Jihane, and Oliver S. Wenger. "Photoinduced electron transfer in covalent ruthenium-anthraquinone dyads: relative importance of driving-force, solvent polarity, and donor-bridge energy gap​." ​Physical Chemistry Chemical Physics, vol. 14, no. 8, ​2012, pp. 2685​-2692​, ​doi: 10.1039/c2cp23240e. 
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  • 2012 | Journal Article | 
    ​ ​Carlsson, Philip Thomas Michael, et al. "Sulfur dioxide oxidation induced mechanistic branching and particle formation during the ozonolysis of beta-pinene and 2-butene​." ​Physical Chemistry Chemical Physics, vol. 14, no. 45, ​2012, pp. 15637​-15640​, ​doi: 10.1039/c2cp42992f. 
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  • 2012 | Journal Article
    ​ ​González-Magaña, O., et al. "Length effects in VUV photofragmentation of protonated peptides​." ​Physical Chemistry, Chemical Physics, vol. 14, no. 13, ​2012, pp. 4351​-4354​, ​doi: 10.1039/c2cp23470j. 
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  • 2012 | Journal Article | Research Paper
    ​ ​Schroer, Martin A., Metin Tolan, and Roland Winter. "Exploring the thermodynamic derivatives of the structure factor of dense protein solutions​." ​Physical Chemistry, Chemical Physics, vol. 14, no. 26, ​2012, pp. 9486​-9491​, ​doi: 10.1039/c2cp41041a. 
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  • 2012 | Journal Article
    ​ ​Moré, René, et al. "Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid--a combined crystallographic and spectroscopic study​." ​Physical Chemistry, Chemical Physics, vol. 14, no. 29, ​2012, pp. 10187​-10195​, ​doi: 10.1039/c2cp40216e. 
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  • 2012 | Journal Article | 
    ​ ​Oum, Kawon, et al. "Ultrafast dynamics of the indoline dye D149 on electrodeposited ZnO and sintered ZrO2 and TiO2 thin films.​." ​Physical Chemistry, Chemical Physics, vol. 14, no. 44, ​2012, pp. 15429​-15437​, ​doi: 10.1039/c2cp42961f. 
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  • 2013 | Journal Article
    ​ ​Arden-Jacob, Jutta, et al. "Ultrafast photoinduced dynamics of the 3,6-diaminoacridinium derivative ATTO 465 in solution​." ​Physical Chemistry, Chemical Physics, vol. 15, no. 6, ​2013, pp. 1844​-1853​, ​doi: 10.1039/C2CP43493H. 
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  • 2013 | Journal Article | 
    ​ ​Graetz, Fabian, et al. "Vibrational enhancement of electron emission in CO (a(3)Pi) quenching at a clean metal surface​." ​Physical Chemistry Chemical Physics, vol. 15, no. 36, ​2013, pp. 14951​-14955​, ​doi: 10.1039/c3cp52468j. 
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  • 2013 | Journal Article | 
    ​ ​Altnoeder, Jonas, et al. "Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (+/-)-1-indanol clusters​." ​Physical Chemistry Chemical Physics, vol. 15, no. 25, ​2013, pp. 10167​-10180​, ​doi: 10.1039/c3cp50708d. 
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  • 2013 | Journal Article | 
    ​ ​Suhm, Martin A., and Franz Kollipost. "Femtisecond single-mole infrared spectroscopy of molecular clusters​." ​Physical Chemistry Chemical Physics, vol. 15, no. 26, ​2013, pp. 10702​-10721​, ​doi: 10.1039/c3cp51515j. 
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  • 2013 | Journal Article | 
    ​ ​Loew, Florian, et al. "Ultra-slow dynamics in low density amorphous ice revealed by deuteron NMR: indication of a glass transition​." ​Physical Chemistry Chemical Physics, vol. 15, no. 23, ​2013, pp. 9308​-9314​, ​doi: 10.1039/c3cp50818h. 
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  • 2013 | Journal Article | 
    ​ ​Nelson, H., et al. "Small-angle water reorientations in KOH doped hexagonal ice and clathrate hydrates​." ​Physical Chemistry Chemical Physics, vol. 15, no. 17, ​2013, pp. 6355​-6367​, ​doi: 10.1039/c3cp00139c. 
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  • 2013 | Journal Article | 
    ​ ​Loew, Florian, et al. "Limits of metastability in amorphous ices: H-2-NMR relaxation​." ​Physical Chemistry Chemical Physics, vol. 15, no. 2, ​2013, pp. 576​-580​, ​doi: 10.1039/c2cp43543h. 
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  • 2013 | Journal Article | 
    ​ ​Heger, Matthias, Tina Scharge, and Martin A. Suhm. "From hydrogen bond donor to acceptor: the effect of ethanol fluorination on the first solvating water molecule​." ​Physical Chemistry Chemical Physics, vol. 15, no. 38, ​2013, pp. 16065​-16073​, ​doi: 10.1039/c3cp53115e. 
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  • 2013 | Journal Article | 
    ​ ​Sebald, Peter, et al. "Rovibrational states of ClHCl- isotopologues up to high J: a joint theoretical and spectroscopic investigation​." ​Physical Chemistry Chemical Physics, vol. 15, no. 18, ​2013, pp. 6737​-6748​, ​doi: 10.1039/c3cp44236e. 
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  • 2013 | Journal Article
    ​ ​Melko, Joshua J., et al. "Iron cation catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics​." ​Physical Chemistry Chemical Physics, vol. 15, no. 27, ​2013, pp. 11257​-11267​, ​doi: 10.1039/c3cp50335f. 
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  • 2013 | Journal Article | 
    ​ ​Tkach, Igor, et al. "Orientation selection in distance measurements between nitroxide spin labels at 94 GHz EPR with variable dual frequency irradiation​." ​Physical Chemistry Chemical Physics, vol. 15, no. 10, ​2013, pp. 3433​-3437​, ​doi: 10.1039/c3cp44415e. 
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  • 2013 | Journal Article
    ​ ​Andrejic, Milica, and Ricardo A. Mata. "Study of ligand effects in aurophilic interactions using local correlation methods​." ​Physical Chemistry, Chemical Physics, vol. 15, no. 41, ​2013, pp. 18115​-18122​, ​doi: 10.1039/c3cp52931b. 
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  • 2013 | Journal Article | 
    ​ ​Schaefer, Tim, et al. "Observation of direct vibrational excitation in gas-surface collisions of CO with Au(111): a new model system for surface dynamics​." ​Physical Chemistry Chemical Physics, vol. 15, no. 6, ​2013, pp. 1863​-1867​, ​doi: 10.1039/c2cp43351f. 
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  • 2013 | Journal Article | 
    ​ ​Hey, Jakob, et al. "Heteroaromaticity approached by charge density investigations and electronic structure calculations​." ​Physical Chemistry, Chemical Physics, vol. 15, no. 47, ​2013, pp. 20600​-20610​, ​doi: 10.1039/c3cp53756k. 
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  • 2013 | Journal Article
    ​ ​Oum, Kawon, et al. "Photoinduced ultrafast dynamics of the triphenylamine-based organic sensitizer D35 on TiO2, ZrO2 and in acetonitrile​." ​Physical Chemistry, Chemical Physics, vol. 15, no. 11, ​2013, pp. 3906​-3916​, ​doi: 10.1039/c3cp44095h. 
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  • 2014 | Journal Article
    ​ ​Lima, Frederico A., et al. "Probing the electronic and geometric structure of ferric and ferrous myoglobins in physiological solutions by Fe K-edge absorption spectroscopy​." ​Physical Chemistry, Chemical Physics, vol. 16, no. 4, ​2014, pp. 1617​-1631​, ​doi: 10.1039/C3CP53683A. 
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  • 2014 | Journal Article
    ​ ​Brinkmann, Levin, Eugene Heifets, and Lev Kantorovich. "Density functional calculations of extended, periodic systems using Coulomb corrected molecular fractionation with conjugated caps method (CC-MFCC)​." ​Physical Chemistry, Chemical Physics, vol. 16, no. 39, ​2014, pp. 21252​-21270​, ​doi: 10.1039/C3CP55119A. 
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  • 2014 | Journal Article
    ​ ​Liu, Zhao, et al. "Multi-responsive cellulose nanocrystal–rhodamine conjugates: an advanced structure study by solid-state dynamic nuclear polarization (DNP) NMR​." ​Physical Chemistry, Chemical Physics, vol. 16, no. 47, ​2014, , ​doi: 10.1039/c4cp04096a. 
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  • 2014 | Journal Article | 
    ​ ​Enkin, Nikolay, et al. "High DNP efficiency of TEMPONE radicals in liquid toluene at low concentrations​." ​Physical Chemistry, Chemical Physics, vol. 16, no. 19, ​2014, pp. 8795​-8800​, ​doi: 10.1039/C4CP00854E. 
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  • 2014 | Journal Article
    ​ ​Nguyen Xuan Truong, Nguyen Xuan Truong, et al. "Vibrational spectra and structures of neutral Si6X clusters (X = Be, B, C, N, O)​." ​Physical Chemistry Chemical Physics, vol. 16, no. 40, ​2014, pp. 22364​-22372​, ​doi: 10.1039/c4cp03414g. 
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  • 2014 | Journal Article
    ​ ​Cobos, C. J., et al. "Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane​." ​Physical Chemistry Chemical Physics, vol. 16, no. 21, ​2014, pp. 9797​-9807​, ​doi: 10.1039/c3cp54274b. 
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  • 2014 | Journal Article | 
    ​ ​Rizzato, Roberto, and Marina Bennati. "Enhanced sensitivity of electron-nuclear double resonance (ENDOR) by cross polarisation and relaxation​." ​Physical Chemistry Chemical Physics, vol. 16, no. 17, ​2014, pp. 7681​-7685​, ​doi: 10.1039/c3cp55395g. 
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  • 2014 | Journal Article | Research Paper
    ​ ​Kozuch, Jacek, et al. "Voltage-dependent structural changes of the membrane-bound anion channel hVDAC1 probed by SEIRA and electrochemical impedance spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 16, no. 20, ​2014, pp. 9546​-9555​, ​doi: 10.1039/c4cp00167b. 
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  • 2014 | Journal Article | 
    ​ ​Buck, Udo, et al. "A size resolved investigation of large water clusters​." ​Physical Chemistry Chemical Physics, vol. 16, no. 15, ​2014, pp. 6859​-6871​, ​doi: 10.1039/c3cp55185g. 
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  • 2014 | Journal Article | 
    ​ ​Otto, Katharina E., et al. "The Raman spectrum of isolated water clusters​." ​Physical Chemistry Chemical Physics, vol. 16, no. 21, ​2014, pp. 9849​-9858​, ​doi: 10.1039/c3cp54272f. 
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  • 2014 | Journal Article | 
    ​ ​Pradzynski, Christoph C., et al. "Infrared detection of (H2O)(20) isomers of exceptional stability: a drop-like and a face-sharing pentagonal prism cluster​." ​Physical Chemistry Chemical Physics, vol. 16, no. 48, ​2014, pp. 26691​-26696​, ​doi: 10.1039/c4cp03642e. 
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  • 2014 | Journal Article | 
    ​ ​Kollipost, Franz, et al. "Alcohol dimers - how much diagonal OH anharmonicity?​." ​Physical Chemistry Chemical Physics, vol. 16, no. 30, ​2014, pp. 15948​-15956​, ​doi: 10.1039/c4cp01418a. 
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  • 2014 | Journal Article | Research Paper
    ​ ​Voehringer-Martinez, E., et al. "Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 16, no. 36, ​2014, pp. 19365​-19375​, ​doi: 10.1039/c4cp02063d. 
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  • 2014 | Journal Article | 
    ​ ​Golibrzuch, Kai, et al. "Incidence energy dependent state-to-state time-of-flight measurements of NO(v=3) collisions with Au(111): the fate of incidence vibrational and translational energy​." ​Physical Chemistry Chemical Physics, vol. 16, no. 16, ​2014, pp. 7602​-7610​, ​doi: 10.1039/c3cp55224a. 
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  • 2014 | Journal Article | 
    ​ ​Frank, Marina, et al. "SERS spectroscopic evidence for the integrity of surface-deposited self-assembled coordination cages​." ​Physical Chemistry Chemical Physics, vol. 16, no. 40, ​2014, pp. 21930​-21935​, ​doi: 10.1039/c4cp02188f. 
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  • 2014 | Journal Article
    ​ ​Debnarova, Andrea, Simone Techert, and Stefan Schmatz. "Contribution of Coulomb explosion to form factors and mosaicity spread in single particle X-ray scattering​." ​Physical Chemistry Chemical Physics, vol. 16, no. 2, ​2014, pp. 792​-798​, ​doi: 10.1039/c3cp54011a. 
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  • 2014 | Journal Article | Research Paper
    ​ ​Möller, Johannes, et al. "Specific anion effects on the pressure dependence of the protein-protein interaction potential​." ​Physical Chemistry, Chemical Physics, vol. 16, no. 16, ​2014, pp. 7423​-7429​, ​doi: 10.1039/c3cp55278k. 
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  • 2015 | Journal Article
    ​ ​Wiederschein, F., et al. "Charge separation and isolation in strong water droplet impacts​." ​Physical Chemistry Chemical Physics, vol. 17, no. 10, ​2015, pp. 6858​-6864​, ​doi: 10.1039/C4CP05618C. 
    ​Details  DOI 
  • 2015 | Journal Article | Research Paper | 
    ​ ​Heger, Matthias, et al. "To π or not to π – how does methanol dock onto anisole?​." ​Physical Chemistry, Chemical Physics, vol. 17, no. 19, ​2015, pp. 13045​-13052​, ​doi: 10.1039/C5CP01545F. 
    ​Details  DOI 
  • 2015 | Journal Article
    ​ ​Ushakov, Vladimir G., et al. "Statistical modeling of the reactions Fe+ + N2O -> FeO+ + N-2 and FeO+ + CO -> Fe+ + CO2​." ​Physical Chemistry Chemical Physics, vol. 17, no. 30, ​2015, pp. 19700​-19708​, ​doi: 10.1039/c5cp01416f. 
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  • 2015 | Journal Article | 
    ​ ​Engelhart, Daniel P., et al. "Adsorbate enhancement of electron emission during the quenching of metastable CO at metal surfaces​." ​Physical Chemistry Chemical Physics, vol. 17, no. 17, ​2015, pp. 11540​-11545​, ​doi: 10.1039/c5cp01255d. 
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  • 2015 | Journal Article
    ​ ​Ard, Shaun G., et al. "Spin-inversion and spin-selection in the reactions FeO+ + H-2 and Fe+ + N2O​." ​Physical Chemistry Chemical Physics, vol. 17, no. 30, ​2015, pp. 19709​-19717​, ​doi: 10.1039/c5cp01418b. 
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  • 2015 | Journal Article
    ​ ​Dashevskaya, Elena I., E. E. Nikitin, and Juergen Troe. "The vibrational relaxation of NO in Ar: tunneling in a curve-crossing mechanism​." ​Physical Chemistry Chemical Physics, vol. 17, no. 1, ​2015, pp. 151​-158​, ​doi: 10.1039/c4cp04107k. 
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  • 2015 | Journal Article
    ​ ​Mahata, Manoj Kumar, et al. "Incorporation of Zn2+ ions into BaTiO3:Er3+/Yb3+ nanophosphor: an effective way to enhance upconversion, defect luminescence and temperature sensing​." ​Physical Chemistry Chemical Physics, vol. 17, no. 32, ​2015, pp. 20741​-20753​, ​doi: 10.1039/c5cp01874a. 
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  • 2015 | Journal Article | 
    ​ ​Ehlers, Florian, et al. "Collisional relaxation of apocarotenals: identifying the S state with vibrationally excited molecules in the ground electronic state S-0​." ​Physical Chemistry Chemical Physics, vol. 17, no. 16, ​2015, pp. 10478​-10488​, ​doi: 10.1039/c4cp05600k. 
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  • 2015 | Journal Article | 
    ​ ​Idzik, Krzysztof R., et al. "The optical properties and quantum chemical calculations of thienyl and furyl derivatives of pyrene​." ​Physical Chemistry Chemical Physics, vol. 17, no. 35, ​2015, pp. 22758​-22769​, ​doi: 10.1039/c5cp03013g. 
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  • 2015 | Journal Article | 
    ​ ​Hennig, Carsten, and Stefan Schmatz. "Mechanisms of S(N)2 reactions: insights from a nearside/farside analysis​." ​Physical Chemistry Chemical Physics, vol. 17, no. 40, ​2015, pp. 26670​-26676​, ​doi: 10.1039/c5cp04312c. 
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  • 2015 | Journal Article | 
    ​ ​Chizhik, Anna M., et al. "Photoluminescence of a single quantum emitter in a strongly inhomogeneous chemical environment​." ​Physical Chemistry Chemical Physics, vol. 17, no. 22, ​2015, pp. 14994​-15000​, ​doi: 10.1039/c5cp01371b. 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | 
    ​ ​Heger, Matthias, et al. "To pi or not to pi - how does methanol dock onto anisole?​." ​Physical Chemistry Chemical Physics, vol. 17, no. 19, ​2015, pp. 13045​-13052​, ​doi: 10.1039/c5cp01545f. 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​Nguyen Xuan Truong, Nguyen Xuan Truong, et al. "Vibrational spectra and structures of SinC clusters (n=3-8)​." ​Physical Chemistry Chemical Physics, vol. 17, no. 29, ​2015, pp. 18961​-18970​, ​doi: 10.1039/c5cp02588e. 
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  • 2015 | Journal Article
    ​ ​Enkin, Nikolay, et al. "A high saturation factor in Overhauser DNP with nitroxide derivatives: the role of N-14 nuclear spin relaxation​." ​Physical Chemistry Chemical Physics, vol. 17, no. 17, ​2015, pp. 11144​-11149​, ​doi: 10.1039/c5cp00935a. 
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  • 2015 | Journal Article
    ​ ​Cobos, C. J., et al. "Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8​." ​Physical Chemistry Chemical Physics, vol. 17, no. 48, ​2015, pp. 32219​-32224​, ​doi: 10.1039/c5cp05366h. 
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  • 2015 | Journal Article | 
    ​ ​Heger, Matthias, et al. "Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol.​." ​Physical Chemistry, Chemical Physics, vol. 17, no. 15, ​2015, pp. 9899​-9909​, ​doi: 10.1039/c4cp05868b. 
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  • 2015 | Journal Article | Research Paper
    ​ ​Lin, Wei, et al. "Internal dynamics in the molecular complex of CF3CN and H2O​." ​Physical Chemistry, Chemical Physics, vol. 17, no. 26, ​2015, pp. 17266​-17270​, ​doi: 10.1039/c5cp01550b. 
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  • 2016 | Journal Article
    ​ ​Han, Huixian, et al. "Calculations of the active mode and energetic barrier to electron attachment to CF3 and comparison with kinetic modeling of experimental results​." ​Physical Chemistry Chemical Physics, vol. 18, no. 45, ​2016, pp. 31064​-31071​, ​doi: 10.1039/c6cp05867a. 
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  • 2016 | Journal Article | Research Paper | 
    ​ ​Lehmkühler, Felix, et al. "Intramolecular structure and energetics in supercooled water down to 255 K​." ​Physical Chemistry, Chemical Physics, vol. 18, no. 9, ​2016, pp. 6925​-6930​, ​doi: 10.1039/C5CP07721D. 
    ​Details  DOI 
  • 2016 | Journal Article | 
    ​ ​Hennig, Carsten, and Stefan Schmatz. "Reaction cross sections and thermal rate constant for Cl− + CH 3 Br → ClCH 3+ Br− from J-dependent quantum scattering calculations​." ​Physical Chemistry Chemical Physics, vol. 18, no. 29, ​2016, pp. 19668​-19675​, ​doi: 10.1039/C6CP02799G. 
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  • 2016 | Journal Article | 
    ​ ​Zhu, Qiushi, et al. "Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles​." ​Physical Chemistry Chemical Physics, vol. 18, no. 22, ​2016, pp. 14933​-14940​, ​doi: 10.1039/C6CP01843B. 
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  • 2016 | Journal Article | Research Paper | 
    ​ ​Sahle, Christoph J., et al. "In situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy​." ​Physical Chemistry, Chemical Physics, vol. 18, no. 7, ​2016, pp. 5397​-5403​, ​doi: 10.1039/C5CP06571B. 
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  • 2016 | Journal Article | Research Paper
    ​ ​Schulze, Julian, et al. "Phase behavior of lysozyme solutions in the liquid-liquid phase coexistence region at high hydrostatic pressures​." ​Physical Chemistry, Chemical Physics, vol. 18, no. 21, ​2016, pp. 14252​-14256​, ​doi: 10.1039/c6cp01791f. 
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  • 2016 | Journal Article
    ​ ​Gomez, David, and Stefan Klumpp. "Facilitated diffusion in the presence of obstacles on the DNA​." ​Physical Chemistry Chemical Physics, vol. 18, no. 16, ​2016, pp. 11184​-11192​, ​doi: 10.1039/c6cp00307a. 
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  • 2016 | Journal Article | 
    ​ ​Krueger, Bastian Christopher, et al. "Final rotational state distributions from NO(v(i)=11) in collisions with Au(111): the magnitude of vibrational energy transfer depends on orientation in molecule-surface collisions​." ​Physical Chemistry Chemical Physics, vol. 18, no. 22, ​2016, pp. 14976​-14979​, ​doi: 10.1039/c6cp02100j. 
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  • 2016 | Journal Article | 
    ​ ​Poblotzki, Anja, Jonas Altnöder, and Martin A. Suhm. "Subtle solvation behaviour of a biofuel additive: the methanol complex with 2,5-dimethylfuran​." ​Physical Chemistry Chemical Physics, vol. 18, no. 39, ​2016, pp. 27265​-27271​, ​doi: 10.1039/c6cp05413g. 
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  • 2016 | Journal Article
    ​ ​Medcraft, Chris, et al. "Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complex​." ​Physical Chemistry Chemical Physics, vol. 18, no. 37, ​2016, pp. 25975​-25983​, ​doi: 10.1039/c6cp03557d. 
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  • 2016 | Journal Article
    ​ ​Knight, Gary, et al. "Shock wave and modeling study of the reaction CF4 (+M) double left right arrow CF3 + F (+M)​." ​Physical Chemistry Chemical Physics, vol. 18, no. 26, ​2016, pp. 17592​-17596​, ​doi: 10.1039/c6cp03010f. 
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  • 2016 | Journal Article | 
    ​ ​Park, G. Barratt, et al. "A 1+1 ' resonance-enhanced multiphoton ionization scheme for rotationally state-selective detection of formaldehyde via the (A)over-tilde (1)A(2) <- (X)over-tilde (1)A(1) transition​." ​Physical Chemistry Chemical Physics, vol. 18, no. 32, ​2016, pp. 22355​-22363​, ​doi: 10.1039/c6cp03833f. 
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  • 2016 | Journal Article | 
    ​ ​Heger, Matthias, et al. "The donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices​." ​Physical Chemistry Chemical Physics, vol. 18, no. 5, ​2016, pp. 3739​-3745​, ​doi: 10.1039/c5cp07387a. 
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  • 2016 | Journal Article
    ​ ​Su, Shu, et al. "Vacuum ultraviolet photodissociation of hydrogen bromide​." ​Physical Chemistry Chemical Physics, vol. 18, no. 22, ​2016, pp. 15399​-15405​, ​doi: 10.1039/c6cp01956k. 
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  • 2016 | Journal Article | Research Paper
    ​ ​Sahle, Christoph J., et al. "Formation of CaB6 in the thermal decomposition of the hydrogen storage material Ca(BH4)2​." ​Physical Chemistry, Chemical Physics, vol. 18, no. 29, ​2016, pp. 19866​-19872​, ​doi: 10.1039/c6cp02495e. 
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  • 2017 | Journal Article
    ​ ​Hellström, Matti, and Jörg Behler. "Surface phase diagram prediction from a minimal number of DFT calculations: redox-active adsorbates on zinc oxide​." ​Physical Chemistry Chemical Physics, vol. 19, no. 42, ​2017, pp. 28731​-28748​, ​doi: 10.1039/C7CP05182D. 
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  • 2017 | Journal Article
    ​ ​Krüger, Bastian C., et al. "Trapping-desorption and direct-scattering of formaldehyde at Au(111)​." ​Physical Chemistry Chemical Physics, vol. 19, no. 30, ​2017, pp. 19896​-19903​, ​doi: 10.1039/C7CP03907G. 
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  • 2017 | Journal Article
    ​ ​Tang, Qiyun, et al. "Formation of ordered mesostructured TiO 2 thin films: a soft coarse-grained simulation study​." ​Physical Chemistry, Chemical Physics, vol. 19, no. 41, ​2017, pp. 28249​-28262​, ​doi: 10.1039/C7CP05304E. 
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  • 2017 | Journal Article
    ​ ​Yoshitake, Mari, et al. "Defect-free network formation and swelling behavior in ionic liquid-based electrolytes of tetra-arm polymers synthesized using a Michael addition reaction​." ​Physical Chemistry Chemical Physics, vol. 19, no. 44, ​2017, pp. 29984​-29990​, ​doi: 10.1039/C7CP06126A. 
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  • 2017 | Journal Article
    ​ ​Hoyermann, Karlheinz, et al. "Exploring the chemical kinetics of partially oxidized intermediates by combining experiments, theory, and kinetic modeling​." ​Physical Chemistry Chemical Physics, vol. 19, no. 28, ​2017, pp. 18128​-18146​, ​doi: 10.1039/C7CP02759A. 
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  • 2017 | Journal Article | 
    ​ ​Liu, Guoquan, et al. "Photo-induced radical polarization and liquid-state dynamic nuclear polarization using fullerene nitroxide derivatives​." ​Physical Chemistry, Chemical Physics, vol. 19, no. 47, ​2017, pp. 31823​-31829​, ​doi: 10.1039/C7CP06073D. 
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  • 2017 | Journal Article | 
    ​ ​Park, G. Barratt, et al. "An axis-specific rotational rainbow in the direct scatter of formaldehyde from Au(111) and its influence on trapping probability​." ​Physical Chemistry Chemical Physics, vol. 19, no. 30, ​2017, pp. 19904​-19915​, ​doi: 10.1039/C7CP03922K. 
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  • 2017 | Journal Article | 
    ​ ​Bernhard, Dominic, et al. "Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state​." ​Physical Chemistry, Chemical Physics, vol. 19, no. 27, ​2017, pp. 18076​-18088​, ​doi: 10.1039/C7CP02967E. 
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  • 2017 | Journal Article | 
    ​ ​Forsting, Thomas, et al. "Correcting the record: the dimers and trimers of trans-N-methylacetamide​." ​Physical Chemistry Chemical Physics, vol. 19, no. 17, ​2017, pp. 10727​-10737​, ​doi: 10.1039/C6CP07989J. 
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  • 2017 | Journal Article
    ​ ​Cobos, C. J., et al. "Shock wave studies of the pyrolysis of fluorocarbon oxygenates. II. The thermal dissociation of C4F8O​." ​Physical Chemistry Chemical Physics, vol. 19, no. 4, ​2017, pp. 3159​-3164​, ​doi: 10.1039/c6cp06822g. 
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  • 2017 | Journal Article | Research Paper
    ​ ​Ahrens, J., et al. "Ultrafast IR spectroscopy of photo-induced electron transfer in self-assembled donor-acceptor coordination cages​." ​Physical Chemistry Chemical Physics, vol. 19, no. 21, ​2017, pp. 13596​-13603​, ​doi: 10.1039/c7cp02253k. 
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  • 2017 | Journal Article
    ​ ​Vogt-Geisse, Stefan, Ricardo A. Mata, and Alejandro Toro-Labbe. "High level potential energy surface and mechanism of Al(CH3)2OCH3-promoted lactone polymerization: initiation and propagation​." ​Physical Chemistry, Chemical Physics, vol. 19, no. 13, ​2017, pp. 8989​-8999​, ​doi: 10.1039/c7cp00809k. 
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  • 2017 | Journal Article | Research Paper
    ​ ​Martin, Johannes, et al. "Charge attachment induced transport - bulk and grain boundary diffusion of potassium in PrMnO3​." ​Physical Chemistry Chemical Physics, vol. 19, no. 15, ​2017, pp. 9762​-9769​, ​doi: 10.1039/c7cp00198c. 
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  • 2017 | Journal Article
    ​ ​Cobos, C. J., et al. "Shock wave studies of the pyrolysis of fluorocarbon oxygenates. I. The thermal dissociation of C3F6O and CF3COF​." ​Physical Chemistry Chemical Physics, vol. 19, no. 4, ​2017, pp. 3151​-3158​, ​doi: 10.1039/c6cp06816b. 
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  • 2017 | Journal Article
    ​ ​Ablikim, Utuq, et al. "Isomer-Dependent Fragmentation Dynamics of Inner-Shell Photoionized Difluoroiodobenzene​." ​Physical Chemistry, Chemical Physics, vol. 19, no. 21, ​2017, pp. 13419​-13431​, ​doi: 10.1039/C7CP01379E. 
    ​Details  DOI  arXiv 
  • 2018 | Journal Article
    ​ ​Kohse-Höinghaus, Katharina, et al. "Kinetics in the real world: linking molecules, processes, and systems​." ​Physical Chemistry Chemical Physics, vol. 20, no. 16, ​2018, pp. 10561​-10568​, ​doi: 10.1039/C8CP90054J. 
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  • 2018 | Journal Article
    ​ ​Ivanović, Miloš T., et al. "Quantifying the influence of the ion cloud on SAXS profiles of charged proteins​." ​Physical Chemistry Chemical Physics, vol. 20, no. 41, ​2018, pp. 26351​-26361​, ​doi: 10.1039/C8CP03080D. 
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  • 2018 | Journal Article
    ​ ​de Jong, Flip, et al. "Modelling absorption and emission of a meso -aniline–BODIPY based dye with molecular mechanics​." ​Physical Chemistry Chemical Physics, vol. 20, no. 21, ​2018, pp. 14537​-14544​, ​doi: 10.1039/C8CP01877D. 
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  • 2018 | Journal Article
    ​ ​Soetbeer, Janne, et al. "Dynamical decoupling of nitroxides in o -terphenyl: a study of temperature, deuteration and concentration effects​." ​Physical Chemistry, Chemical Physics, vol. 20, no. 3, ​2018, pp. 1615​-1628​, ​doi: 10.1039/C7CP07074H. 
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  • 2018 | Journal Article
    ​ ​Cobos, C. J., et al. "Experimental and modelling study of the multichannel thermal dissociations of CH 3 F and CH 2 F​." ​Physical Chemistry Chemical Physics, vol. 20, no. 4, ​2018, pp. 2627​-2636​, ​doi: 10.1039/C7CP07098E. 
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  • 2018 | Journal Article | Research Paper
    ​ ​Julius, Karin, et al. "The effects of osmolytes and crowding on the pressure-induced dissociation and inactivation of dimeric LADH​." ​Physical Chemistry, Chemical Physics, vol. 20, no. 10, ​2018, pp. 7093​-7104​, ​doi: 10.1039/c7cp08242h. 
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  • 2018 | Journal Article | Research Paper
    ​ ​Luková, Kateřina, et al. "Ab initio conformational analysis of 1,2,3,4-tetrahydroquinoline and the high-resolution rotational spectrum of its lowest energy conformer​." ​Physical Chemistry, Chemical Physics, vol. 20, no. 21, ​2018, pp. 14664​-14670​, ​doi: 10.1039/c8cp00953h. 
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  • 2019 | Journal Article
    ​ ​Moosavi, R., et al. "Influence of mineralization and injection flow rate on flow patterns in three-dimensional porous media​." ​Physical Chemistry Chemical Physics, vol. 21, no. 27, ​2019, pp. 14605​-14611​, ​doi: 10.1039/C9CP01382B. 
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  • 2019 | Journal Article | Research Paper
    ​ ​Gao, Shuang, et al. "Tetrel bonds and conformational equilibria in the formamide–CO2 complex: a rotational study​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 13, ​2019, pp. 7016​-7020​, ​doi: 10.1039/C9CP00055K. 
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  • 2019 | Journal Article | 
    ​ ​Schubert, Kaja, et al. "Absorption spectra at the iodine 3d ionisation threshold following the CHxI+ (x = 0–3) cation sequence​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 45, ​2019, pp. 25415​-25424​, ​doi: 10.1039/C9CP04640B. 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Oswald, Sönke, and Martin A. Suhm. "Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 35, ​2019, pp. 18799​-18810​, ​doi: 10.1039/C9CP03651B. 
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  • 2019 | Journal Article | 
    ​ ​Oswald, Sönke, Martin A. Suhm, and Stéphane Coussan. "Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 3, ​2019, pp. 1277​-1284​, ​doi: 10.1039/C8CP07053A. 
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  • 2019 | Journal Article | 
    ​ ​Forsting, Thomas, et al. "Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 11, ​2019, pp. 5989​-5998​, ​doi: 10.1039/C9CP00399A. 
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  • 2019 | Journal Article | 
    ​ ​Bari, Sadia, et al. "Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3)​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 30, ​2019, pp. 16505​-16514​, ​doi: 10.1039/C9CP02864A. 
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  • 2019 | Journal Article | 
    ​ ​Wagner, Roman J. V., et al. "Electron transfer mediates vibrational relaxation of CO in collisions with Ag(111)​." ​Physical Chemistry Chemical Physics, vol. 21, no. 4, ​2019, pp. 1650​-1655​, ​doi: 10.1039/C8CP06041J. 
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  • 2019 | Journal Article | 
    ​ ​Karir, Ginny, Nils O. B. Lüttschwager, and Martin A. Suhm. "Phenylacetylene as a gas phase sliding balance for solvating alcohols​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 15, ​2019, pp. 7831​-7840​, ​doi: 10.1039/C9CP00435A. 
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  • 2019 | Journal Article | 
    ​ ​Li, Jun, Kaisheng Song, and Jörg Behler. "A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry​." ​Physical Chemistry Chemical Physics, vol. 21, no. 19, ​2019, pp. 9672​-9682​, ​doi: 10.1039/C8CP06919K. 
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  • 2019 | Journal Article | 
    ​ ​Bernhard, D., et al. "Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 29, ​2019, pp. 16032​-16046​, ​doi: 10.1039/C9CP02635E. 
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  • 2019 | Journal Article | 
    ​ ​Cobos, C. J., et al. "Falloff curves and mechanism of thermal decomposition of CF 3 I in shock waves​." ​Physical Chemistry Chemical Physics, vol. 21, no. 43, ​2019, pp. 23893​-23899​, ​doi: 10.1039/C9CP04771A. 
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  • 2019 | Journal Article | 
    ​ ​Bosse, Mathias, et al. "Shiga toxin binding alters lipid packing and the domain structure of Gb 3 -containing membranes: a solid-state NMR study​." ​Physical Chemistry, Chemical Physics, vol. 21, no. 28, ​2019, pp. 15630​-15638​, ​doi: 10.1039/C9CP02501D. 
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  • 2019 | Journal Article | 
    ​ ​Cobos, C. J., et al. "Shock wave and modelling study of the dissociation pathways of (C 2 F 5 ) 3 N​." ​Physical Chemistry Chemical Physics, vol. 21, no. 19, ​2019, pp. 9785​-9792​, ​doi: 10.1039/C9CP01142K. 
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  • 2019 | Journal Article
    ​ ​Paulikat, Mirko, Ricardo A. Mata, and Ricard Gelabert. "A high-throughput computational approach to UV-Vis spectra in protein mutants​." ​Physical Chemistry Chemical Physics, vol. 21, no. 37, ​2019, pp. 20678​-20692​, ​doi: 10.1039/c9cp03908b. 
    ​Details  DOI  PMID  PMC 
  • 2019 | Journal Article | 
    ​ ​Korchak, Sergey, et al. "Production of highly concentrated and hyperpolarized metabolites within seconds in high and low magnetic fields​." ​Physical Chemistry Chemical Physics, vol. 21, no. 41, ​2019, pp. 22849​-22856​, ​doi: 10.1039/C9CP05227E. 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article | Erratum
    ​ ​Li, Jun, Kaisheng Song, and Jörg Behler. "Correction: A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry​." ​Physical Chemistry Chemical Physics, vol. 22, no. 47, ​2020, pp. 27914​-27915​, ​doi: 10.1039/d0cp90265a. 
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  • 2020 | Journal Article
    ​ ​Nejad, Arman, and Deborah L. Crittenden. "On the separability of large-amplitude motions in anharmonic frequency calculations​." ​Physical Chemistry Chemical Physics, vol. 22, no. 36, ​2020, pp. 20588​-20601​, ​doi: 10.1039/d0cp03515g. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Medel, Robert, and Martin A. Suhm. "Understanding benzyl alcohol aggregation by chiral modification: the pairing step​." ​Physical Chemistry Chemical Physics, vol. 22, no. 44, ​2020, pp. 25538​-25551​, ​doi: 10.1039/d0cp04825a. 
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  • 2020 | Journal Article | Research Paper
    ​ ​Jahn, Michaela K., et al. "The puzzling hyper-fine structure and an accurate equilibrium geometry of succinic anhydride​." ​Physical Chemistry, Chemical Physics, vol. 22, no. 9, ​2020, pp. 5170​-5177​, ​doi: 10.1039/C9CP06775B. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Sibold, Jeremias, et al. "Phase separation in pore-spanning membranes induced by differences in surface adhesion​." ​Physical Chemistry Chemical Physics, vol. 22, no. 17, ​2020, pp. 9308​-9315​, ​doi: 10.1039/d0cp00335b. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Kastner, Alexander, et al. "High-resolution resonance-enhanced multiphoton photoelectron circular dichroism​." ​Physical Chemistry Chemical Physics, vol. 22, no. 14, ​2020, pp. 7404​-7411​, ​doi: 10.1039/d0cp00470g. 
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  • 2020 | Journal Article
    ​ ​Meyer, Katharina A. E., Julia A. Davies, and Andrew M. Ellis. "Shifting formic acid dimers into perspective: vibrational scrutiny in helium nanodroplets​." ​Physical Chemistry Chemical Physics, vol. 22, no. 17, ​2020, pp. 9637​-9646​, ​doi: 10.1039/d0cp01060j. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Nejad, Arman, Martin A. Suhm, and Katharina A. E. Meyer. "Increasing the weights in the molecular work-out of cis - and trans -formic acid: extension of the vibrational database via deuteration​." ​Physical Chemistry Chemical Physics, vol. 22, no. 44, ​2020, pp. 25492​-25501​, ​doi: 10.1039/d0cp04451b. 
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  • 2020 | Journal Article | Research Paper
    ​ ​Galparsoro, Oihana, et al. "First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111)​." ​Physical Chemistry Chemical Physics, vol. 22, no. 31, ​2020, pp. 17532​-17539​, ​doi: 10.1039/d0cp02858d. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Shao, Yunqi, et al. "Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions​." ​Physical Chemistry Chemical Physics, vol. 22, no. 19, ​2020, pp. 10426​-10430​, ​doi: 10.1039/c9cp06479f. 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper | 
    ​ ​Wille, Sebastian, et al. "An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality​." ​Physical Chemistry Chemical Physics, vol. 22, no. 45, ​2020, pp. 26113​-26120​, ​doi: 10.1039/d0cp03462b. 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Zimmermann, C., H. C. Gottschalk, and Martin A. Suhm. "Three-dimensional docking of alcohols to ketones: an experimental benchmark based on acetophenone solvation energy balances​." ​Physical Chemistry, Chemical Physics, vol. 22, no. 5, ​2020, pp. 2870​-2877​, ​doi: 10.1039/C9CP06128B. 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Keller, K., et al. "Accessing distributions of exchange and dipolar couplings in stiff molecular rulers with Cu( ii ) centres​." ​Physical Chemistry, Chemical Physics, vol. 22, no. 38, ​2020, pp. 21707​-21730​, ​doi: 10.1039/D0CP03105D. 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Hartwig, Beppo, et al. "The reduced cohesion of homoconfigurational 1,2-diols​." ​Physical Chemistry Chemical Physics, vol. 22, no. 3, ​2020, pp. 1122​-1136​, ​doi: 10.1039/c9cp04943f. 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Gawrilow, Maxim, and Martin A. Suhm. "2-Methoxyethanol: harmonic tricks, anharmonic challenges and chirality-sensitive chain aggregation​." ​Physical Chemistry, Chemical Physics, vol. 22, no. 27, ​2020, pp. 15303​-15311​, ​doi: 10.1039/d0cp02488k. 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Kraus, Peter, et al. "XeOCS: relatively straightforward?​." ​Physical Chemistry, Chemical Physics, vol. 22, no. 10, ​2020, pp. 5615​-5624​, ​doi: 10.1039/d0cp00334d. 
    ​Details  DOI  PMID  PMC 
  • 2021 | Journal Article
    ​ ​Wang, Hao, et al. "Competitive tetrel bond and hydrogen bond in benzaldehyde–CO 2 : characterization via rotational spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 23, no. 45, ​2021, pp. 25784​-25788​, ​doi: 10.1039/D1CP03608D. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Cobos, C. J., et al. "Shock wave and modelling study of the dissociation kinetics of C 2 F 5 I​." ​Physical Chemistry Chemical Physics, vol. 23, no. 7, ​2021, pp. 4394​-4403​, ​doi: 10.1039/d0cp06414a. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Levien, Marcel, et al. "Spin density localization and accessibility of organic radicals affect liquid-state DNP efficiency​." ​Physical Chemistry Chemical Physics, vol. 23, no. 8, ​2021, pp. 4480​-4485​, ​doi: 10.1039/d0cp05796g. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Jana, Pritam Kumar, et al. "Impurity-induced nematic–isotropic transition of liquid crystals​." ​Physical Chemistry Chemical Physics, vol. 23, no. 14, ​2021, pp. 8825​-8835​, ​doi: 10.1039/D0CP06577C. 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Hartwig, Beppo, and Martin A. Suhm. "Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase​." ​Physical Chemistry, Chemical Physics, vol. 23, no. 38, ​2021, pp. 21623​-21640​, ​doi: 10.1039/D1CP03367K. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Medel, Robert, and Martin A. Suhm. "Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods​." ​Physical Chemistry Chemical Physics, vol. 23, no. 9, ​2021, pp. 5629​-5643​, ​doi: 10.1039/D1CP00342A. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Saul, Philip, et al. "Exotic nuclear spin behavior in dendritic macromolecules​." ​Physical Chemistry Chemical Physics, vol. 23, no. 46, ​2021, pp. 26349​-26355​, ​doi: 10.1039/D1CP04483D. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Janek, Jürgen, Peter R. Schreiner, and Martin A. Suhm. "Understanding dispersion interactions in molecular chemistry​." ​Physical Chemistry Chemical Physics, vol. 23, no. 15, ​2021, pp. 8960​-8961​, ​doi: 10.1039/D0CP90285C. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Meyer, Katharina A. E., and Arman Nejad. "CC-stretched formic acid: isomerisation, dimerisation, and carboxylic acid complexation​." ​Physical Chemistry Chemical Physics, vol. 23, no. 32, ​2021, pp. 17208​-17223​, ​doi: 10.1039/D1CP02700J. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Medel, Robert. "Simple models for the quick estimation of ground state hydrogen tunneling splittings in alcohols and other compounds​." ​Physical Chemistry Chemical Physics, vol. 23, no. 32, ​2021, pp. 17591​-17605​, ​doi: 10.1039/D1CP02115J. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Raghavan, Arjun, et al. "Alkali metal adsorption on metal surfaces: new insights from new tools​." ​Physical Chemistry Chemical Physics, vol. 23, no. 13, ​2021, pp. 7822​-7829​, ​doi: 10.1039/D0CP05365A. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Becker, Daniel, et al. "Temperature evolution in IR action spectroscopy experiments with sodium doped water clusters​." ​Physical Chemistry Chemical Physics, vol. 23, no. 13, ​2021, pp. 7682​-7695​, ​doi: 10.1039/D0CP05390B. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Medel, Robert, et al. "Rovibronic signatures of molecular aggregation in the gas phase: subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol​." ​Physical Chemistry Chemical Physics, vol. 23, no. 41, ​2021, pp. 23610​-23624​, ​doi: 10.1039/D1CP03508H. 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Elbers, Mirko, et al. "Ion association in hydrothermal aqueous NaCl solutions: implications for the microscopic structure of supercritical water​." ​Physical Chemistry, Chemical Physics, vol. 23, no. 27, ​2021, pp. 14845​-14856​, ​doi: 10.1039/D1CP01490K. 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Bolle, Jennifer, et al. "Isomeric effects in structure formation and dielectric dynamics of different octanols​." ​Physical Chemistry, Chemical Physics, vol. 23, no. 42, ​2021, pp. 24211​-24221​, ​doi: 10.1039/D1CP02468J. 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Cobos, C. J., et al. "Shock wave and modelling study of the unimolecular dissociation of Si(CH 3 ) 2 F 2 : an access to spectroscopic and kinetic properties of SiF 2​." ​Physical Chemistry Chemical Physics, vol. 23, no. 39, ​2021, pp. 22437​-22442​, ​doi: 10.1039/D1CP03298D. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Aniban, Xaiza, et al. "Dispersion forces in chirality recognition – a density functional and wave function theory study of diols​." ​Physical Chemistry Chemical Physics, vol. 23, no. 21, ​2021, pp. 12093​-12104​, ​doi: 10.1039/D1CP01225H. 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Wu, Bowei, et al. "2,2,3,3,3-Pentafluoro-1-propanol and its dimer: structural diversity, conformational conversion, and tunnelling motion​." ​Physical Chemistry Chemical Physics, vol. 24, no. 24, ​2022, pp. 14975​-14984​, ​doi: 10.1039/D2CP01895K. 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Singh, Himanshi, et al. "The many forms of alpha-methoxy phenylacetic acid in the gas phase: flexibility, internal dynamics, and their intramolecular interactions​." ​Physical Chemistry Chemical Physics, vol. 24, no. 44, ​2022, pp. 27312​-27320​, ​doi: 10.1039/D2CP03962A. 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Klose, Daniel, et al. "Cu 2+ -Induced self-assembly and amyloid formation of a cyclic d , l -α-peptide: structure and function​." ​Physical Chemistry Chemical Physics, vol. 24, no. 11, ​2022, pp. 6699​-6715​, ​doi: 10.1039/D1CP05415E. 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​An, Qi, et al. "The L–G phase transition in binary Cu–Zr metallic liquids​." ​Physical Chemistry Chemical Physics, vol. 24, no. 1, ​2022, pp. 497​-506​, ​doi: 10.1039/D1CP04157F. 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Zhang, Yaolong, et al. "Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter​." ​Physical Chemistry Chemical Physics, vol. 24, no. 33, ​2022, pp. 19753​-19760​, ​doi: 10.1039/D2CP03312G. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Schweer, Sophie M., Arman Nejad, and Martin A. Suhm. "Coupled proton vibrations between two weak acids: the hinge complex between formic acid and trifluoroethanol​." ​Physical Chemistry Chemical Physics, vol. 24, no. 43, ​2022, pp. 26449​-26457​, ​doi: 10.1039/D2CP04176F. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Pantoja, Christian F., Markus Zweckstetter, and Nasrollah Rezaei-Ghaleh. "Dynamical component exchange in a model phase separating system: an NMR-based approach​." ​Physical Chemistry Chemical Physics, vol. 24, no. 10, ​2022, pp. 6169​-6175​, ​doi: 10.1039/D2CP00042C. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Ranecky, Simon T., et al. "Detecting chirality in mixtures using nanosecond photoelectron circular dichroism​." ​Physical Chemistry Chemical Physics, vol. 24, no. 5, ​2022, pp. 2758​-2761​, ​doi: 10.1039/D1CP05468F. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Quesada-Moreno, María Mar, Melanie Schnell, and Daniel A. Obenchain. "Rotational analysis of naphthol-aromatic ring complexes stabilized by electrostatic and dispersion interactions​." ​Physical Chemistry Chemical Physics, ​2022, , ​doi: 10.1039/D1CP04337D. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Ligorio, Raphael F., et al. "Benchmark of a functional-group database for distributed polarizability and dipole moment in biomolecules​." ​Physical Chemistry Chemical Physics, vol. 24, no. 48, ​2022, pp. 29495​-29504​, ​doi: 10.1039/D2CP04052B. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Quesada-Moreno, María Mar, et al. "Sniffing out camphor: the fine balance between hydrogen bonding and London dispersion in the chirality recognition with α-fenchol​." ​Physical Chemistry Chemical Physics, ​2022, , ​doi: 10.1039/D2CP00308B. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Fischer, Taija L., et al. "Setting up the HyDRA blind challenge for the microhydration of organic molecules​." ​Physical Chemistry, Chemical Physics, vol. 24, no. 19, ​2022, pp. 11442​-11454​, ​doi: 10.1039/D2CP01119K. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Becker, Daniel, et al. "Real-time monitoring of aerosol particle formation from sulfuric acid vapor at elevated concentrations and temperatures​." ​Physical Chemistry Chemical Physics, vol. 24, no. 8, ​2022, pp. 5001​-5013​, ​doi: 10.1039/D1CP04580F. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Shanavas Rasheeda, Dilshana, et al. "High-dimensional neural network potentials for accurate vibrational frequencies: the formic acid dimer benchmark​." ​Physical Chemistry Chemical Physics, vol. 24, no. 48, ​2022, pp. 29381​-29392​, ​doi: 10.1039/D2CP03893E. 
    ​Details  DOI 
  • 2022 | Journal Article | Research Paper | 
    ​ ​Hertl, Nils, Alexander Kandratsenka, and Alec M. Wodtke. "Effective medium theory for bcc metals: electronically non-adiabatic H atom scattering in full dimensions​." ​Physical Chemistry Chemical Physics, vol. 24, no. 15, ​2022, pp. 8738​-8748​, ​doi: 10.1039/D2CP00087C. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Sheng, Xiaowei, Kwong Tin Tang, and J. Peter Toennies. "A semiempirical potential for alkali halide diatoms with damped interactions I. Rittner potential​." ​Physical Chemistry Chemical Physics, vol. 24, no. 40, ​2022, pp. 24823​-24833​, ​doi: 10.1039/D2CP03405K. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Dorst, Arved C., et al. "Velocity map images of desorbing oxygen from sub-surface states of Rh(111)​." ​Physical Chemistry Chemical Physics, ​2022, , ​doi: 10.1039/D2CP03369K. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Bernasconi, Marco, et al. "New trends and challenges in surface phenomena, carbon nanostructures and helium droplets – Festschrift for Giorgio Benedek​." ​Physical Chemistry Chemical Physics, ​2022, , ​doi: 10.1039/D2CP90196J. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Bernasconi, Marco, et al. "Giorgio Benedek: an extraordinary scientist and cultured gentleman​." ​Physical Chemistry Chemical Physics, ​2022, , ​doi: 10.1039/D2CP90197H. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Martin-Barrios, Raidel, et al. "H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.​." ​Physical Chemistry Chemical Physics, ​2022, , ​doi: 10.1039/D2CP01850K. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Lee, Jason W. L., et al. "The Kinetic Energy of PAH Dication and Trication Dissociation Determined by Recoil-Frame Covariance Map Imaging​." ​Physical Chemistry, Chemical Physics, vol. 24, no. 38, ​2022, pp. 23096​-23105​, ​doi: 10.1039/D2CP02252D. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Fiedler, J., et al. "Perspectives on weak interactions in complex materials at different length scales​." ​Physical Chemistry Chemical Physics, vol. 25, no. 4, ​2023, pp. 2671​-2705​, ​doi: 10.1039/D2CP03349F. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Becker, Stefan, et al. "Maturation of amyloid β fibrils alters their molecular stability​." ​Physical Chemistry Chemical Physics, ​2023, , ​doi: 10.1039/D3CP01276J. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Herbold, Marius, and Jörg Behler. "Machine learning transferable atomic forces for large systems from underconverged molecular fragments​." ​Physical Chemistry Chemical Physics, vol. 25, no. 18, ​2023, pp. 12979​-12989​, ​doi: 10.1039/D2CP05976B. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Rzęsikowska, Katarzyna, Justyna Kalinowska-Tłuścik, and Anna Krawczuk. "Hierarchical analysis of the target-based scoring function modification for the example of selected class A GPCRs​." ​Physical Chemistry Chemical Physics, vol. 25, no. 4, ​2023, pp. 3513​-3520​, ​doi: 10.1039/D2CP04671G. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Nejad, Arman, et al. "Subtle hydrogen bond preference and dual Franck–Condon activity – the interesting pairing of 2-naphthol with anisole​." ​Physical Chemistry Chemical Physics, vol. 25, no. 15, ​2023, pp. 10427​-10439​, ​doi: 10.1039/D3CP00160A. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Fischer, Taija L., Martijn A. Tepaske, and Martin A. Suhm. "Hydrogen sharing between two nitroxyl radicals in the gas phase and other microsolvation effects on the infrared spectrum of a bulky hydroxylamine​." ​Physical Chemistry, Chemical Physics, vol. 25, no. 16, ​2023, pp. 11324​-11330​, ​doi: 10.1039/D3CP01156A. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Zimmermann, Charlotte, Arved C. Dorst, and Martin A. Suhm. "Raising the benchmark potential of a simple alcohol-ketone intermolecular balance​." ​Physical Chemistry Chemical Physics, vol. 25, no. 1, ​2023, pp. 384​-391​, ​doi: 10.1039/D2CP05141A. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Dohmen, Robin, Denis Fedosov, and Daniel A. Obenchain. "Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions​." ​Physical Chemistry Chemical Physics, vol. 25, no. 3, ​2023, pp. 2420​-2429​, ​doi: 10.1039/D2CP04067K. 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Reinhard, Maik, et al. "Large 31 P-NMR enhancements in liquid state dynamic nuclear polarization through radical/target molecule non-covalent interaction​." ​Physical Chemistry Chemical Physics, vol. 25, no. 1, ​2023, pp. 822​-828​, ​doi: 10.1039/D2CP04092A. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Fischer, Taija L., et al. "The first HyDRA challenge for computational vibrational spectroscopy​." ​Physical Chemistry, Chemical Physics, vol. 25, no. 33, ​2023, pp. 22089​-22102​, ​doi: 10.1039/D3CP01216F. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Sergeieva, Tetiana, et al. "Revisiting the origin of the bending in group 2 metallocenes AeCp 2 (Ae = Be–Ba)​." ​Physical Chemistry, Chemical Physics, vol. 25, no. 30, ​2023, pp. 20657​-20667​, ​doi: 10.1039/D2CP05020J. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Mata, Ricardo A., Anne Zehnacker-Rentien, and Martin A. Suhm. "Benchmark experiments for numerical quantum chemistry​." ​Physical Chemistry Chemical Physics, ​2023, , ​doi: 10.1039/D3CP90186F. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Asanbaeva, N. B., et al. "19 F electron nuclear double resonance (ENDOR) spectroscopy for distance measurements using trityl spin labels in DNA duplexes​." ​Physical Chemistry, Chemical Physics, vol. 25, no. 35, ​2023, pp. 23454​-23466​, ​doi: 10.1039/D3CP02969G. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Schweer, Sophie M., et al. "Formic acid–methanol complexation vs. esterification: elusive pre-reactive species identified by vibrational spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 25, no. 43, ​2023, pp. 29982​-29992​, ​doi: 10.1039/D3CP04705A. 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Sieme, Daniel, and Nasrollah Rezaei-Ghaleh. "Water dynamics in eutectic solutions of sodium chloride and magnesium sulfate: implications for life in Europa's subsurface ocean and ice shell​." ​Physical Chemistry Chemical Physics, vol. 26, no. 1, ​2024, pp. 105​-115​, ​doi: 10.1039/D3CP03455K. 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Liebetrau, Martin, et al. "Hydrogen atom scattering at the Al 2 O 3 (0001) surface: a combined experimental and theoretical study​." ​Physical Chemistry Chemical Physics, vol. 26, no. 3, ​2024, pp. 1696​-1708​, ​doi: 10.1039/D3CP04729F. 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Brás, Elisa M., et al. "Benchmarking the anisotropy of nitroxyl radical solvation with IR spectroscopy​." ​Physical Chemistry Chemical Physics, vol. 26, no. 7, ​2024, pp. 5822​-5829​, ​doi: 10.1039/D3CP05668F. 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Hartwig, Beppo, et al. "Weak hydrogen bonding to halogens and chirality communication in propanols: Raman and microwave spectroscopy benchmark theory​." ​Physical Chemistry Chemical Physics, vol. 26, no. 12, ​2024, pp. 9432​-9452​, ​doi: 10.1039/D3CP04911F. 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Lüttschwager, Nils O. B.. "The strength of the OH-bend/OH-stretch Fermi resonance in small water clusters​." ​Physical Chemistry Chemical Physics, vol. 26, no. 13, ​2024, pp. 10120​-10135​, ​doi: 10.1039/D3CP06255D. 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Dupont, Jennifer, et al. "Homochiral vs. heterochiral preference in chiral self-recognition of cyclic diols​." ​Physical Chemistry Chemical Physics, ​2024, , ​doi: 10.1039/D4CP00351A. 
    ​Details  DOI 

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