The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory

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  • 2005 | Journal Article
    ​ ​A microwave and quantum chemical study of the conformational properties and intramolecular hydrogen bonding of 1-fluorocyclopropanecarboxylic acid​
    Mollendal, H.; Leonov, A. & de Meijere, A.​ (2005) 
    The Journal of Physical Chemistry A, 109(28) pp. 6344​-6350​.​ DOI: https://doi.org/10.1021/jp050924e 
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  • 2006 | Journal Article
    ​ ​A simple method relating specific rate constants k(E,J) and thermally averaged rate constants k(infinity)(T) of unimolecular bond fission and the reverse barrierless association reactions​
    Troe, J. & Ushakov, V. G.​ (2006) 
    The Journal of Physical Chemistry A, 110(21) pp. 6732​-6741​.​ DOI: https://doi.org/10.1021/jp056269s 
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  • 2016 | Journal Article | Research Paper
    ​ ​A Study of 2-Iodobutane by Rotational Spectroscopy​
    Arsenault, E. A.; Obenchain, D. A. ; Choi, Y. J.; Blake, T. A.; Cooke, S. A. & Novick, S. E.​ (2016) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 120(36) pp. 7145​-7151​.​ DOI: https://doi.org/10.1021/acs.jpca.6b06938 
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  • 2015 | Journal Article | Research Paper
    ​ ​A Study of the Monohydrate and Dihydrate Complexes of Perfluoropropionic Acid Using Chirped-Pulse Fourier Transform Microwave (CP-FTMW) Spectroscopy​
    Grubbs, G. S.; Obenchain, D. A. ; Frank, D. S.; Novick, S. E.; Cooke, S. A.; Serrato, A. & Lin, W.​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(42) pp. 10475​-10480​.​ DOI: https://doi.org/10.1021/acs.jpca.5b08347 
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  • 2021 | Journal Article
    ​ ​Accurate Atom–Dipole Interaction Model for Prediction of Electro-optical Properties: From van der Waals Aggregates to Covalently Bonded Clusters​
    Ligorio, R. F.; Krawczuk, A. & Dos Santos, L. H. R.​ (2021) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 125(19) pp. 4152​-4159​.​ DOI: https://doi.org/10.1021/acs.jpca.1c02475 
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  • 2015 | Journal Article
    ​ ​Accurate Calculation of the Dissociation Energy of the Highly Anharmonic System ClHCl-​
    Stein, C. J.; Oswald, R. B.; Botschwina, P. & Peterson, K. A.​ (2015) 
    The Journal of Physical Chemistry A, 119(21) pp. 5158​-5164​.​ DOI: https://doi.org/10.1021/jp509711g 
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  • 2020 | Journal Article
    ​ ​Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance​
    Lu, D.; Behler, J.   & Li, J.​ (2020) 
    The Journal of Physical Chemistry A, 124(28) pp. 5737​-5745​.​ DOI: https://doi.org/10.1021/acs.jpca.0c04182 
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  • 2009 | Journal Article
    ​ ​Accurate Potential Energy Surface and Calculated Spectroscopic Properties for CdH2 Isotopomers​
    Sebald, P.; Oswald, R. B.; Botschwina, P.; Stoll, H. & Figgen, D.​ (2009) 
    The Journal of Physical Chemistry A, 113(43) pp. 11772​-11782​.​ DOI: https://doi.org/10.1021/jp9029198 
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  • 2014 | Journal Article
    ​ ​Activation of Methane by FeO+: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical Modeling​
    Ard, S. G.; Melko, J. J.; Ushakov, V. G.; Johnson, R. S.; Fournier, J. A.; Shuman, N. S. & Guo, H. et al.​ (2014) 
    The Journal of Physical Chemistry A, 118(11) pp. 2029​-2039​.​ DOI: https://doi.org/10.1021/jp5000705 
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  • 2013 | Journal Article
    ​ ​Adaptive Aggregation of Peptide Model Systems​
    Lee, J. J.; Albrecht, M.; Rice, C. A. & Suhm, M. A. ​ (2013) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 117(32) pp. 7050​-7063​.​ DOI: https://doi.org/10.1021/jp400056n 
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  • 2002 | Journal Article
    ​ ​Aerosol spectroscopy of dihydroxyacetone: Gas phase and nanoparticles​
    Signorell, R. & Luckhaus, D.​ (2002) 
    The Journal of Physical Chemistry A, 106(19) pp. 4855​-4867​.​ DOI: https://doi.org/10.1021/jp0130968 
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  • 2018 | Journal Article
    ​ ​All That Binds Is Not Gold—The Relative Weight of Aurophilic Interactions in Complex Formation​
    Wuttke, A.; Feldt, M. & Mata, R. A. ​ (2018) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122(34) pp. 6918​-6925​.​ DOI: https://doi.org/10.1021/acs.jpca.8b06546 
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  • 2007 | Journal Article
    ​ ​Analysis of quantum yields for the photolysis of formaldehyde at lambda > 310 nm​
    Troe, J.​ (2007) 
    The Journal of Physical Chemistry A, 111(19) pp. 3868​-3874​.​ DOI: https://doi.org/10.1021/jp066886w 
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  • 2016 | Journal Article
    ​ ​Analysis of the Pressure and Temperature Dependence of the Complex-Forming Bimolecular Reaction CH3OCH3 + Fe+​
    Ard, S. G.; Johnson, R. S.; Martinez, O. J.; Shuman, N. S.; Guo, H.; Troe, J. & Viggiano, A. A.​ (2016) 
    The Journal of Physical Chemistry A, 120(27) pp. 5264​-5273​.​ DOI: https://doi.org/10.1021/acs.jpca.6b01125 
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  • 2013 | Journal Article
    ​ ​Anharmonic Motion in Experimental Charge Density Investigations​
    Herbst-Irmer, R.; Henn, J.; Holstein, J. J.; Huebschle, C. B.; Dittrich, B.; Stern, D. & Kratzert, D. et al.​ (2013) 
    The Journal of Physical Chemistry A, 117(3) pp. 633​-641​.​ DOI: https://doi.org/10.1021/jp309985e 
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  • 2009 | Journal Article
    ​ ​Anharmonic Rovibrational Numbers and Densities of States for HO2, H2CO, and H2O2​
    Troe, J. & Ushakov, V. G.​ (2009) 
    The Journal of Physical Chemistry A, 113(16) pp. 3940​-3945​.​ DOI: https://doi.org/10.1021/jp8101964 
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  • 2022 | Journal Article
    ​ ​Application of an Event-Based Camera for Real-Time Velocity Resolved Kinetics​
    Golibrzuch, K.; Schwabe, S.; Zhong, T.; Papendorf, K. & Wodtke, A. M.​ (2022) 
    The Journal of Physical Chemistry A, art. acs.jpca.2c00806​.​ DOI: https://doi.org/10.1021/acs.jpca.2c00806 
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  • 2004 | Journal Article
    ​ ​Axially nonadiabatic channel treatment of low-energy capture in ion-rotating diatom collisions​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Oref, I. & Troe, J.​ (2004) 
    The Journal of Physical Chemistry A, 108(41) pp. 8703​-8712​.​ DOI: https://doi.org/10.1021/jp040084o 
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  • 2018 | Journal Article | Research Paper
    ​ ​Benchmark-Quality Semiexperimental Structural Parameters of van der Waals Complexes​
    Kraus, P.; Obenchain, D. A.   & Frank, I.​ (2018) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122(4) pp. 1077​-1087​.​ DOI: https://doi.org/10.1021/acs.jpca.7b10797 
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  • 2022 | Journal Article
    ​ ​Binding Energy and Diffusion Barrier of Formic Acid on Pd(111)​
    Fingerhut, J.; Lecroart, L.; Borodin, D.; Schwarzer, M.; Hörandl, S.; Kandratsenka, A. & Auerbach, D. J. et al.​ (2022) 
    The Journal of Physical Chemistry A, art. acs.jpca.2c07414​.​ DOI: https://doi.org/10.1021/acs.jpca.2c07414 
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  • 2010 | Journal Article
    ​ ​Binding of Urea and Thiourea with a Barbiturate Derivative: Experimental and Theoretical Approach​
    Dixit, N.; Shukla, P. K.; Mishra, P.; Mishra, L. & Roesky, H. W.​ (2010) 
    The Journal of Physical Chemistry A, 114(1) pp. 97​-104​.​ DOI: https://doi.org/10.1021/jp906909y 
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  • 2010 | Journal Article
    ​ ​Brightening and Locking a Weak and Floppy N-H Chromophore: The Case of Pyrrolidine​
    Hesse, S.; Wassermann, T. N. & Suhm, M. A. ​ (2010) 
    The Journal of Physical Chemistry A, 114(39) pp. 10492​-10499​.​ DOI: https://doi.org/10.1021/jp105517b 
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  • 2016 | Journal Article
    ​ ​Broadband Microwave Spectroscopy of Prototypical Amino Alcohols and Polyamines: Competition between H-Bonded Cycles and Chains​
    Zhang, D. I.; Bocklitz, S. & Zwier, T. S.​ (2016) 
    The Journal of Physical Chemistry A, 120(1) pp. 55​-67​.​ DOI: https://doi.org/10.1021/acs.jpca.5b10650 
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  • 2011 | Journal Article | Research Paper
    ​ ​C-H···π interactions in the CHBrF2···HCCH weakly bound dimer​
    Obenchain, D. A. ; Bills, B. J.; Christenholz, C. L.; Elmuti, L. F.; Peebles, R. A.; Peebles, S. A. & Neill, J. L. et al.​ (2011) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 115(44) pp. 12228​-12234​.​ DOI: https://doi.org/10.1021/jp208603m 
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  • 2009 | Journal Article
    ​ ​Cage Effect in Supercritical Fluids and Compressed Gases in the Photolysis of an Asymmetrically Substituted Diazene​
    Hoijemberg, P. A.; Zerbs, J.; Laura Japas, M.; Chesta, C. A.; Schroeder, J. & Aramendia, P. F.​ (2009) 
    The Journal of Physical Chemistry A, 113(18) pp. 5289​-5295​.​ DOI: https://doi.org/10.1021/jp811390m 
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  • 2001 | Review
    ​ ​Can fulvenes form from enediynes? A systematic high-level computational study on parent and benzannelated enediyne and enyne-allene cyclizations​
    Prall, M.; Wittkopp, A.& Schreiner, P. R.​ (2001)
    The Journal of Physical Chemistry A, 105​(40) pp. 9265​-9274​.​
    Amer Chemical Soc. DOI: https://doi.org/10.1021/jp0028002 
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  • 2010 | Conference Paper
    ​ ​CCSD(T)-F12a Study of Reactions of Interstellar Anions C2nH-(n=2-4) with HCCH​
    Botschwina, P. & Oswald, R. B.​ (2010)
    The Journal of Physical Chemistry A, 114(14) pp. 4875​-4880. ​30th International Symposium on Free Radicals​, Savonlinna, FINLAND.
    Washington​: Amer Chemical Soc. DOI: https://doi.org/10.1021/jp910415a 
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  • 2015 | Journal Article
    ​ ​CH+ Destruction by Reaction with H: Computing Quantum Rates To Model Different Molecular Regions in the Interstellar Medium​
    Bovino, S.; Grassi, T. & Gianturco, F. A.​ (2015) 
    The Journal of Physical Chemistry A, 119(50) pp. 11973​-11982​.​ DOI: https://doi.org/10.1021/acs.jpca.5b02785 
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  • 2012 | Journal Article
    ​ ​Charge Delocalization in a Homologous Series of alpha,alpha '-Bis(dianisylamino)-Substituted Thiophene Monocations​
    Reuter, L. G.; Bonn, A. G.; Stueckl, A. C.; He, B.; Pati, P. B.; Zade, S. S. & Wenger, O. S.​ (2012) 
    The Journal of Physical Chemistry A, 116(27) pp. 7345​-7352​.​ DOI: https://doi.org/10.1021/jp303989t 
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  • 2007 | Journal Article
    ​ ​Classical trajectory study of the reaction between H and HCO​
    Troe, J. & Ushakov, V. G.​ (2007) 
    The Journal of Physical Chemistry A, 111(29) pp. 6610​-6614​.​ DOI: https://doi.org/10.1021/jp0674017 
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  • 2004 | Journal Article
    ​ ​Collisional stabilization and thermal dissociation of highly vibrationally excited C9H12+ ions from the reaction O-2(+)+C9H12 -> O-2+C9H12+​
    Fernandez, A. I.; Viggiano, A. A.; Miller, T. M.; Williams, S.; Dotan, I.; Seeley, J. V. & Troe, J.​ (2004) 
    The Journal of Physical Chemistry A, 108(45) pp. 9652​-9659​.​ DOI: https://doi.org/10.1021/jp048132s 
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  • 2013 | Journal Article | Letter Note
    ​ ​Comment on "Role of (NO)(2) Dimer in Reactions of Fe+ with NO and NO2 Studied by ICP-SIFT Mass Spectrometry"​
    Melko, J. J.; Ard, S. G.; Fournier, J. A.; Shuman, N. S.; Troe, J. & Viggiano, A. A.​ (2013) 
    The Journal of Physical Chemistry A, 117(37) pp. 9108​-9110​.​ DOI: https://doi.org/10.1021/jp404945p 
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  • 2005 | Journal Article | Letter Note
    ​ ​Comparative FTIR spectroscopy of HX adsorbed on solid water: Ragout-jet water clusters vs ice nanocrystal arrays​
    Devlin, J. P.; Farnik, M.; Suhm, M. A.   & Buch, V.​ (2005) 
    The Journal of Physical Chemistry A, 109(6) pp. 955​-958​.​ DOI: https://doi.org/10.1021/jp044212k 
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  • 2013 | Journal Article
    ​ ​Competition between Direct and Indirect Dissociation Pathways in Ultraviolet Photodissociation of HNCO​
    Yu, S.; Su, S.; Dorenkamp, Y.; Wodtke, A. M.; Dai, D.; Yuan, K. & Yang, X.​ (2013) 
    The Journal of Physical Chemistry A, 117(46) pp. 11673​-11678​.​ DOI: https://doi.org/10.1021/jp312793k 
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  • 2000 | Journal Article
    ​ ​Concentration fluctuations in ethanol/dodecane mixtures. A light-scattering and ultrasonic spectroscopy study​
    Durr, U.; Mirzaev, S. Z. & Kaatze, U.​ (2000) 
    The Journal of Physical Chemistry A, 104(39) pp. 8855​-8862​.​ DOI: https://doi.org/10.1021/jp000263f 
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  • 2010 | Journal Article
    ​ ​Contribution of the Radical-Complex Mechanism to the Rate of the Reaction CH3 + O-2 (+ M) -> CH3O2 (+ M) at High Pressures​
    Fernandes, R. X.; Luther, K.   & Troe, J.​ (2010) 
    The Journal of Physical Chemistry A, 114(36) pp. 9963​-9968​.​ DOI: https://doi.org/10.1021/jp102503a 
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  • 2017 | Journal Article | 
    ​ ​Cooperativity in Alcohol-Nitrogen Complexes: Understanding Cryomatrices through Slit Jet Expansions​
    Oswald, S.; Wallrabe, M. & Suhm, M. A. ​ (2017) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 121(18) pp. 3411​-3422​.​ DOI: https://doi.org/10.1021/acs.jpca.7b01265 
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  • 2009 | Journal Article
    ​ ​Counterintuitive Absence of an Excited-State Intramolecular Charge Transfer Reaction with 2,4,6-Tricyanoanilines. Experimental and Computational Results​
    Zachariasse, K. A.; Druzhinin, S. I.; Galievsky, V. A.; Kovalenko, S. A.; Senyushkina, T. A.; Mayer, P. & Noltemeyer, M. et al.​ (2009) 
    The Journal of Physical Chemistry A, 113(12) pp. 2693​-2710​.​ DOI: https://doi.org/10.1021/jp8078925 
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  • 2007 | Journal Article
    ​ ​Coupled cluster study of the linear carbon chains C2n+1 (n=5-9)​
    Botschwina, P.​ (2007) 
    The Journal of Physical Chemistry A, 111(31) pp. 7431​-7436​.​ DOI: https://doi.org/10.1021/jp070922p 
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  • 2006 | Journal Article
    ​ ​Critical dynamics of the binary system nitroethane/3-methylpentane: Relaxation rate and scaling function​
    Iwanowski, I.; Leluk, K. ; Rudowski, M. & Kaatze, U.​ (2006) 
    The Journal of Physical Chemistry A, 110(13) pp. 4313​-4319​.​ DOI: https://doi.org/10.1021/jp0569584 
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  • 2020 | Journal Article
    ​ ​Crystal Field Effects on Atomic and Functional-Group Distributed Polarizabilities of Molecular Materials​
    Ligorio, R. F.; Krawczuk, A. & Dos Santos, L. H. R.​ (2020) 
    The Journal of Physical Chemistry A, 124(48) pp. 10008​-10018​.​ DOI: https://doi.org/10.1021/acs.jpca.0c09293 
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  • 2001 | Journal Article
    ​ ​Dielectric spectroscopy of the room temperature molten salt ethylammonium nitrate​
    Weingartner, H.; Knocks, A.; Schrader, W. & Kaatze, U.​ (2001) 
    The Journal of Physical Chemistry A, 105(38) pp. 8646​-8650​.​ DOI: https://doi.org/10.1021/jp0114586 
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  • 2004 | Journal Article
    ​ ​Dimers of ethanol​
    Dyczmons, V.​ (2004) 
    The Journal of Physical Chemistry A, 108(11) pp. 2080​-2086​.​ DOI: https://doi.org/10.1021/jp030930f 
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  • 2018 | Journal Article
    ​ ​Dinitrogen as a Sensor for Metastable Carboxylic Acid Dimers and a Weak Hydrogen Bond Benchmarking Tool​
    Oswald, S.; Meyer, E. & Suhm, M. A. ​ (2018) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122(11) pp. 2933​-2946​.​ DOI: https://doi.org/10.1021/acs.jpca.8b00334 
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  • 2007 | Journal Article
    ​ ​Direct images of the virtual source in a supersonic expansion​
    Reisinger, T.; Bracco, G.; Rehbein, S.; Schmahl, G. ; Ernst, W. E. & Holst, B.​ (2007) 
    The Journal of Physical Chemistry A, 111(49) pp. 12620​-12628​.​ DOI: https://doi.org/10.1021/jp076102u 
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  • 2015 | Journal Article | Research Paper
    ​ ​Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates​
    Dos Santos, L. H. R.; Krawczuk, A.   & Macchi, P.​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(13) pp. 3285​-3298​.​ DOI: https://doi.org/10.1021/acs.jpca.5b00069 
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  • 2001 | Journal Article
    ​ ​Dynamics of the H+O-2 -> O+OHchain-branching reaction: Accurate quantum mechanical and experimental absolute reaction cross sections​
    Abu Bajeh, M.; Goldfield, E. M.; Nanf, A.; Kappel, C.; Meijer, A.; Volpp, H. R. & Wolfrum, J.​ (2001) 
    The Journal of Physical Chemistry A, 105(13) pp. 3359​-3364​.​ DOI: https://doi.org/10.1021/jp0036137 
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  • 2015 | Journal Article
    ​ ​Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion - Molecule Reaction Studies​
    Meyer, K. A. E. ; Pollum, L. L.; Petralia, L. S.; Tauschinsky, A.; Rennick, C. J.; Softley, T. P. & Heazlewood, B. R.​ (2015) 
    The Journal of Physical Chemistry A, 119(50) pp. 12449​-12456​.​ DOI: https://doi.org/10.1021/acs.jpca.5b07919 
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  • 2011 | Journal Article
    ​ ​Electron Capture by Polarizable Dipolar Targets: Numerical and Analytically Approximated Capture Probabilities​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2011) 
    The Journal of Physical Chemistry A, 115(25) pp. 6825​-6830​.​ DOI: https://doi.org/10.1021/jp110501n 
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  • 2009 | Review
    ​ ​Electron Densities of Three B-12 Vitamins​
    Mebs, S.; Henn, J.; Dittrich, B.; Paulmann, C.& Luger, P.​ (2009)
    The Journal of Physical Chemistry A, 113​(29) pp. 8366​-8378​.​
    Amer Chemical Soc. DOI: https://doi.org/10.1021/jp902433x 
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  • 2007 | Journal Article
    ​ ​Electron density analyses of opioids: A comparative study​
    Scheins, S.; Messerschmidt, M.; Morgenroth, W.; Paulmann, C. & Luger, P.​ (2007) 
    The Journal of Physical Chemistry A, 111(25) pp. 5499​-5508​.​ DOI: https://doi.org/10.1021/jp0709252 
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  • 2011 | Journal Article
    ​ ​Electron Kinetic Energies from Vibrationally Promoted Surface Exoemission: Evidence for a Vibrational Autodetachment Mechanism​
    LaRue, J. L.; Schaefer, T.; Matsiev, D.; Velarde, L.; Nahler, N. H.; Auerbach, D. J. & Wodtke, A. M. ​ (2011) 
    The Journal of Physical Chemistry A, 115(50) pp. 14306​-14314​.​ DOI: https://doi.org/10.1021/jp205868g 
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  • 2009 | Journal Article
    ​ ​Electronic excitation of Cl- in liquid water and at the surface of a cluster: a sequential born - oppenheimer molecular dynamics/quantum mechanics approach​
    Galamba, N.; Mata, R. A.   & Costa Cabral, B. J.​ (2009) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 113(52) pp. 14684​-14690​.​ DOI: https://doi.org/10.1021/jp904687k 
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  • 2008 | Journal Article
    ​ ​Elementary peptide motifs in the gas phase: FTIR aggregation study of formamide, acetamide, N-methylformamide, and N-methylacetamide​
    Albrecht, M.; Rice, C. A. & Suhm, M. A. ​ (2008) 
    The Journal of Physical Chemistry A, 112(33) pp. 7530​-7542​.​ DOI: https://doi.org/10.1021/jp8039912 
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  • 2010 | Journal Article
    ​ ​Ethanol Monomers and Dimers Revisited: A Raman Study of Conformational Preferences and Argon Nanocoating Effects​
    Wassermann, T. N. & Suhm, M. A. ​ (2010) 
    The Journal of Physical Chemistry A, 114(32) pp. 8223​-8233​.​ DOI: https://doi.org/10.1021/jp104861q 
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  • 2007 | Journal Article
    ​ ​Evidence for an intramolecular charge transfer state in 12 '-apo-beta-caroten-12 '-al and 8 '-apo-beta-caroten-8 '-al: Influence of solvent polarity and temperature​
    Kopczynski, M.; Ehlers, F.; Lenzer, T. & Oum, K.​ (2007) 
    The Journal of Physical Chemistry A, 111(25) pp. 5370​-5381​.​ DOI: https://doi.org/10.1021/jp0672252 
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  • 2020 | Journal Article
    ​ ​Exchange Spin Coupling from Gaussian Process Regression​
    Bahlke, M. P.; Mogos, N.; Proppe, J. & Herrmann, C.​ (2020) 
    The Journal of Physical Chemistry A, 124(42) pp. 8708​-8723​.​ DOI: https://doi.org/10.1021/acs.jpca.0c05983 
    ​Details  DOI 
  • 2013 | Journal Article
    ​ ​Experimental and Modeling Study of the Reaction C2F4 (+ M) <-> CF2 + CF2 (+ M)​
    Cobos, C. J.; Croce, A. E.; Luther, K.; Soelter, L.; Tellbach, E. & Troe, J.​ (2013) 
    The Journal of Physical Chemistry A, 117(45) pp. 11420​-11429​.​ DOI: https://doi.org/10.1021/jp408363s 
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  • 2015 | Journal Article
    ​ ​Experimental and Modeling Study of the Temperature and Pressure Dependence of the Reaction C2H5 + O-2 (+ M) -> C2H5O2 (+ M)​
    Fernandes, R. X.; Luther, K.; Marowsky, G.; Rissanen, M. P.; Timonen, R. & Troe, J.​ (2015) 
    The Journal of Physical Chemistry A, 119(28) pp. 7263​-7269​.​ DOI: https://doi.org/10.1021/jp511672v 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | Research Paper
    ​ ​Experimental and theoretical charge density study of the chemical bonding in chlorokojic acid crystal structure​
    Krawczuk, A.   & Stadnicka, K.​ (2012) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 116(39) pp. 9759​-9768​.​ DOI: https://doi.org/10.1021/jp3058614 
    ​Details  DOI  PMID  PMC 
  • 2003 | Journal Article
    ​ ​Experimental and theoretical investigations of the ultrafast photoinduced decomposition of organic peroxides in solution: Formation and decarboxylation of benzoyloxy radicals​
    Abel, B.; Assmann, J.; Botschwina, P.; Buback, M.; Kling, M.; Oswald, R. B. & Schmatz, S. et al.​ (2003) 
    The Journal of Physical Chemistry A, 107(26) pp. 5157​-5167​.​ DOI: https://doi.org/10.1021/jp034858x 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​Experimental and theoretical studies of the benzylium(+)/tropylium(+) ratios after charge transfer to ethylbenzene​
    Fridgen, T. D.; Troe, J.; Viggiano, A. A.; Midey, A. J.; Williams, S. & McMahon, T. B.​ (2004) 
    The Journal of Physical Chemistry A, 108(26) pp. 5600​-5609​.​ DOI: https://doi.org/10.1021/jp031328s 
    ​Details  DOI  WoS 
  • 2013 | Journal Article | 
    ​ ​Experimental and Theoretical Study of Multi-Quantum Vibrational Excitation: NO(v=0 -> 1,2,3) in Collisions with Au(111)​
    Golibrzuch, K.; Kandratsenka, A.; Rahinov, I.; Cooper, R.; Auerbach, D. J.; Wodtke, A. M. & Bartels, C.​ (2013) 
    The Journal of Physical Chemistry A, 117(32) pp. 7091​-7101​.​ DOI: https://doi.org/10.1021/jp400313b 
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  • 2009 | Journal Article
    ​ ​Experimental Charge Density Studies of Disordered N-Phenylpyrrole and N-(4-Fluorophenyl)pyrrole​
    Meindl, K.; Henn, J.; Kocher, N.; Leusser, D.; Zachariasse, K. A.; Sheldrick, G. M. & Koritsanszky, T. et al.​ (2009) 
    The Journal of Physical Chemistry A, 113(35) pp. 9684​-9691​.​ DOI: https://doi.org/10.1021/jp9026157 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Explicitly Correlated Coupled Cluster Calculations for Propadienylidene (H2CCC)​
    Botschwina, P. & Oswald, R. B.​ (2010) 
    The Journal of Physical Chemistry A, 114(36) pp. 9782​-9787​.​ DOI: https://doi.org/10.1021/jp102702n 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article
    ​ ​Explicitly Correlated Coupled Cluster Calculations for the Benzenium Ion (C6H7+) and Its Complexes with Ne and Ar​
    Botschwina, P. & Oswald, R. B.​ (2011) 
    The Journal of Physical Chemistry A, 115(46) pp. 13664​-13672​.​ DOI: https://doi.org/10.1021/jp207905t 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article
    ​ ​Exploring the Reactions of Fe+ and FeO+ with NO and NO2​
    Melko, J. J.; Ard, S. G.; Fournier, J. A.; Shuman, N. S.; Troe, J. & Viggiano, A. A.​ (2012) 
    The Journal of Physical Chemistry A, 116(47) pp. 11500​-11508​.​ DOI: https://doi.org/10.1021/jp309033b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Falloff curves for the reaction CH3+O-2 (+M)-> CH3O2 (+M) in the pressure range 2-1000 bar and the temperature range 300-700 K​
    Fernandes, R. X.; Luther, K. & Troe, J.​ (2006) 
    The Journal of Physical Chemistry A, 110(13) pp. 4442​-4449​.​ DOI: https://doi.org/10.1021/jp056850o 
    ​Details  DOI  PMID  PMC  WoS 
  • 2020 | Journal Article
    ​ ​Falloff Curves of the Reaction CF 3 (+M) → CF 2 + F (+M)​
    Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2020) 
    The Journal of Physical Chemistry A, 124(7) pp. 1235​-1239​.​ DOI: https://doi.org/10.1021/acs.jpca.9b10393 
    ​Details  DOI 
  • 2007 | Journal Article
    ​ ​Femtosecond IR Spectroscopy of peroxycarbonate photodecomposition: S-1-lifetime determines decarboxylation rate​
    Reichardt, C.; Schroeder, J. & Schwarzer, D.​ (2007) 
    The Journal of Physical Chemistry A, 111(40) pp. 10111​-10118​.​ DOI: https://doi.org/10.1021/jp0742968 
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  • 2013 | Journal Article
    ​ ​FHF- Isotopologues: Highly Anharmonic Hydrogen-Bonded Systems with Strong Coriolis Interaction​
    Sebald, P.; Bargholz, A.; Oswald, R. B.; Stein, C. J. & Botschwina, P.​ (2013) 
    The Journal of Physical Chemistry A, 117(39) pp. 9695​-9703​.​ DOI: https://doi.org/10.1021/jp3123677 
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  • 2006 | Review
    ​ ​Fluorescence and REMPI spectroscopy of jet-cooled isolated 2-phenylindene in the S-1 state​
    Mueller, C.; Kloppel-Riech, M.; Schroder, F.; Schroeder, J.& Troe, J.​ (2006)
    The Journal of Physical Chemistry A, 110​(15) pp. 5017​-5031​.​
    Amer Chemical Soc. DOI: https://doi.org/10.1021/jp060366j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Formation and decomposition of chemically activated cyclopentoxy radicals from the c-C5H9+O reaction​
    Hoyermann, K.; Nothdurft, J.; Olzmann, M.; Wehmeyer, J. & Zeuch, T.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3165​-3173​.​ DOI: https://doi.org/10.1021/jp054578c 
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  • 2001 | Journal Article
    ​ ​Formation of (SiN2SiC) five-membered rings by intramolecular insertion into the Si-N bond: A quantum chemical study​
    Schmatz, S.​ (2001) 
    The Journal of Physical Chemistry A, 105(15) pp. 3875​-3880​.​ DOI: https://doi.org/10.1021/jp0040897 
    ​Details  DOI  WoS 
  • 2012 | Journal Article
    ​ ​Fulvenallenyl Cation (C7H5+) and Its Complex with an Argon Atom: Results of High-Level Quantum-Chemical Calculations​
    Botschwina, P. & Oswald, R. B.​ (2012) 
    The Journal of Physical Chemistry A, 116(13) pp. 3448​-3453​.​ DOI: https://doi.org/10.1021/jp212376j 
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  • 2014 | Journal Article
    ​ ​Further Insight into the Reaction FeO+ + H-2 -> Fe+ + H2O: Temperature Dependent Kinetics, Isotope Effects, and Statistical Modeling​
    Ard, S. G.; Melko, J. J.; Martinez, O. J.; Ushakov, V. G.; Li, A.; Johnson, R. S. & Shuman, N. S. et al.​ (2014) 
    The Journal of Physical Chemistry A, 118(34) pp. 6789​-6797​.​ DOI: https://doi.org/10.1021/jp5055815 
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  • 2021 | Journal Article
    ​ ​Gas Phase Protolysis of Trisarylzincate Anions​
    Rahrt, R.   & Koszinowski, K.​ (2021) 
    The Journal of Physical Chemistry A, 125(51) pp. 10725​-10733​.​ DOI: https://doi.org/10.1021/acs.jpca.1c08964 
    ​Details  DOI 
  • 2005 | Journal Article
    ​ ​Gas-phase collisional relaxation of the CH2I radical after UV photolysis of CH2I2​
    Lenzer, T.; Oum, K.; Schroeder, J. & Sekiguchi, K.​ (2005) 
    The Journal of Physical Chemistry A, 109(48) pp. 10824​-10831​.​ DOI: https://doi.org/10.1021/jp053686w 
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  • 2022 | Journal Article | 
    ​ ​Generation of Sub-nanosecond H Atom Pulses for Scattering from Single-Crystal Epitaxial Graphene​
    Golibrzuch, K.; Walpole, V.; Schönemann, A.-M. & Wodtke, A. M. ​ (2022) 
    The Journal of Physical Chemistry A, 126(43) art. acs.jpca.2c05364​.​ DOI: https://doi.org/10.1021/acs.jpca.2c05364 
    ​Details  DOI 
  • 2006 | Journal Article
    ​ ​Gyroscopic effect in low-energy classical capture of a rotating quadrupolar diatom by an ion​
    Dashevskaya, E.; Litvin, L. & Nikitin, E.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 2876​-2884​.​ DOI: https://doi.org/10.1021/jp053917z 
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  • 2015 | Journal Article
    ​ ​Helium Nanodroplet Study of the Hydrogen-Bonded OH Vibrations in HCl-H2O Clusters​
    Zischang, J.; Skyortsov, D.; Choi, M. Y.; Mata, R. A.; Suhm, M. A.   & Vilesov, A. F.​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(11) pp. 2636​-2643​.​ DOI: https://doi.org/10.1021/jp509683g 
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  • 2015 | Journal Article
    ​ ​High-Field Electron Paramagnetic Resonance and Density Functional Theory Study of Stable Organic Radicals in Lignin: Influence of the Extraction Process, Botanical Origin, and Protonation Reactions on the Radical g Tensor​
    Bährle, C.; Nick, T. U.; Bennati, M. ; Jeschke, G. & Vogel, F.​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(24) pp. 6475​-6482​.​ DOI: https://doi.org/10.1021/acs.jpca.5b02200 
    ​Details  DOI 
  • 2004 | Journal Article
    ​ ​High-pressure studies of radical-solvent molecule interactions in the CCl3 and bromine combination reactions of CCl3​
    Oum, K.; Luther, L. & Troe, J.​ (2004) 
    The Journal of Physical Chemistry A, 108(14) pp. 2690​-2699​.​ DOI: https://doi.org/10.1021/jp0374861 
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  • 2021 | Journal Article
    ​ ​High-Temperature Fluorocarbon Chemistry Revisited​
    Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A. & Troe, J. ​ (2021) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 125(25) pp. 5626​-5632​.​ DOI: https://doi.org/10.1021/acs.jpca.1c03654 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Higher-Energy Hexafluoroisopropanol···Water Isomer and Its Large Amplitude Motions: Rotational Spectra and DFT Calculations​
    Wu, B.; Hazrah, A. S.; Seifert, N. A.; Oswald, S.; Jäger, W. & Xu, Y.​ (2021) 
    The Journal of Physical Chemistry A, 125(48) pp. 10401​-10409​.​ DOI: https://doi.org/10.1021/acs.jpca.1c09058 
    ​Details  DOI 
  • 2001 | Journal Article
    ​ ​Hydrogen bonding and chain conformational isomerization of alcohols probed by ultrasonic absorption and shear impedance spectrometry​
    Behrends, R. & Kaatze, U.​ (2001) 
    The Journal of Physical Chemistry A, 105(24) pp. 5829​-5835​.​ DOI: https://doi.org/10.1021/jp0103777 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Hydrogen bonding in 2-propanol. The effect of fluorination​
    Schaal, H.; Haber, T. & Suhm, M. A. ​ (2000) 
    The Journal of Physical Chemistry A, 104(2) pp. 265​-274​.​ DOI: https://doi.org/10.1021/jp9928558 
    ​Details  DOI  WoS 
  • 2012 | Journal Article
    ​ ​Hydrogen-Bond Strengthening upon Photoinduced Electron Transfer in Ruthenium-Anthraquinone Dyads Interacting with Hexafluoroisopropanol or Water​
    Hankache, J.; Hanss, D. & Wenger, O. S.​ (2012) 
    The Journal of Physical Chemistry A, 116(13) pp. 3347​-3358​.​ DOI: https://doi.org/10.1021/jp300090n 
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  • 2012 | Journal Article
    ​ ​Hydrogen-Bonding Effects on the Formation and Lifetimes of Charge-Separated States in Molecular Triads​
    Hankache, J.; Niemi, M.; Lemmetyinen, H. & Wenger, O. S.​ (2012) 
    The Journal of Physical Chemistry A, 116(31) pp. 8159​-8168​.​ DOI: https://doi.org/10.1021/jp302790j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2004 | Journal Article
    ​ ​Image Analysis of Defocused Single-Molecule Images for Three-Dimensional Molecule Orientation Studies​
    Patra, D.; Gregor, I.   & Enderlein, J. ​ (2004) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 108(33) pp. 6836​-6841​.​ DOI: https://doi.org/10.1021/jp048188m 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Inelastic Scattering of H Atoms from Surfaces​
    Bünermann, O. ; Kandratsenka, A. & Wodtke, A. M. ​ (2021) 
    The Journal of Physical Chemistry A, 125(15) pp. 3059​-3076​.​ DOI: https://doi.org/10.1021/acs.jpca.1c00361 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Influence of Molecular Parameters on Rate Constants of Thermal Dissociation/Recombination Reactions: The Reaction System CF 4 ⇄ CF 3 + F​
    Cobos, C. J.; Tellbach, E.; Sölter, L. & Troe, J.​ (2023) 
    The Journal of Physical Chemistry A, 127(7) pp. 1697​-1701​.​ DOI: https://doi.org/10.1021/acs.jpca.3c00011 
    ​Details  DOI 
  • 2007 | Journal Article
    ​ ​Infrared spectroscopy of small sodium-doped water clusters: Interaction with the solvated electron​
    Buck, U.; Dauster, I.; Gao, B. & Liu, Z.-F.​ (2007) 
    The Journal of Physical Chemistry A, 111(49) pp. 12355​-12362​.​ DOI: https://doi.org/10.1021/jp075717o 
    ​Details  DOI  PMID  PMC  WoS 
  • 2003 | Journal Article
    ​ ​Intra- and intermolecular vibrational energy relaxation of C-H overtone excited benzonitrile, para-difluorobenzene, and pyrazine in solution​
    Assmann, J.; von Benten, R. S.; Charvat, A. & Abel, B.​ (2003) 
    The Journal of Physical Chemistry A, 107(27) pp. 5291​-5297​.​ DOI: https://doi.org/10.1021/jp027368y 
    ​Details  DOI  WoS 
  • 2009 | Journal Article
    ​ ​Intramolecular Charge Transfer with 4-Fluorofluorazene and the Flexible 4-Fluoro-N-phenylpyrrole​
    Druzhinin, S. I.; Kovalenko, S. A.; Senyushkina, T. A.; Demeter, A.; Januskevicius, R.; Mayer, P. & Stalke, D. et al.​ (2009) 
    The Journal of Physical Chemistry A, 113(33) pp. 9304​-9320​.​ DOI: https://doi.org/10.1021/jp903613c 
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  • 2008 | Journal Article
    ​ ​Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption​
    Druzhinin, S. I.; Kovalenko, S. A.; Senyushkina, T. A.; Demeter, A.; Machinek, R.; Noltemeyer, M. & Zachariasse, K. A.​ (2008) 
    The Journal of Physical Chemistry A, 112(36) pp. 8238​-8253​.​ DOI: https://doi.org/10.1021/jp8037413 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Intramolecular Vibrational Energy Redistribution in Aromatic Molecules of Type C6H5X (X = H, D, F, Cl, CH3, CF3)​
    von Benten, R. S.; Liu, Y. & Abel, B.​ (2010) 
    The Journal of Physical Chemistry A, 114(43) pp. 11522​-11528​.​ DOI: https://doi.org/10.1021/jp105417a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2000 | Journal Article
    ​ ​Investigation of loosely bound states of NO2 just below the first dissociation threshold​
    Delon, A.; Reiche, F.; Abel, B.; Grebenshchikov, S. Y. & Schinke, R.​ (2000) 
    The Journal of Physical Chemistry A, 104(45) pp. 10374​-10382​.​ DOI: https://doi.org/10.1021/jp001217i 
    ​Details  DOI  WoS 
  • 2007 | Journal Article
    ​ ​Investigation of the S-1/ICT -> S-0 internal conversion lifetime of 4 '-apo-beta-caroten-4 '-al and 8 '-apo-beta-caroten-8 '-al: Dependence on conjugation length and solvent polarity​
    Ehlers, F.; Wild, D. A.; Lenzer, T. & Oum, K.​ (2007) 
    The Journal of Physical Chemistry A, 111(12) pp. 2257​-2265​.​ DOI: https://doi.org/10.1021/jp0676888 
    ​Details  DOI  PMID  PMC  WoS 
  • 2002 | Journal Article
    ​ ​Ion-complex formation in aqueous solutions of calcium nitrate. Acoustical absorption spectrometry study​
    Behrends, R.; Miecznik, P. & Kaatze, U.​ (2002) 
    The Journal of Physical Chemistry A, 106(25) pp. 6039​-6043​.​ DOI: https://doi.org/10.1021/jp014381u 
    ​Details  DOI  WoS 
  • 2017 | Journal Article
    ​ ​Kinetic and Spectroscopic Studies of the Reaction of CF 2 with H 2 in Shock Waves​
    Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2017) 
    The Journal of Physical Chemistry A, 121(41) pp. 7827​-7834​.​ DOI: https://doi.org/10.1021/acs.jpca.7b05859 
    ​Details  DOI 
  • 2006 | Journal Article
    ​ ​Kinetically controlled selective ionization study on the efficient collisional energy transfer in the deactivation of highly vibrationally excited trans-stilbene​
    Frerichs, H.; Hollerbach, M.; Lenzer, T. & Luther, K.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3179​-3185​.​ DOI: https://doi.org/10.1021/jp0545804 
    ​Details  DOI  PMID  PMC  WoS 
  • 2004 | Journal Article
    ​ ​Kinetics of base-stacking interactions and proton exchange of 6-methylpurine aqueous solutions​
    Polacek, R.; Buckin, V. A.; Eggers, F. & Kaatze, U.​ (2004) 
    The Journal of Physical Chemistry A, 108(10) pp. 1867​-1872​.​ DOI: https://doi.org/10.1021/jp0310798 
    ​Details  DOI  WoS 
  • 2010 | Journal Article
    ​ ​Kinetics of Methane-Ethane Gas Replacement in Clathrate-Hydrates Studied by Time-Resolved Neutron Diffraction and Raman Spectroscopy​
    Murshed, M. M.; Schmidt, B. C. & Kuhs, W. F.​ (2010) 
    The Journal of Physical Chemistry A, 114(1) pp. 247​-255​.​ DOI: https://doi.org/10.1021/jp908016j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Linear carbon chains of type SiCnO (n=3-8): Results of coupled cluster calculations​
    Botschwina, P.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3216​-3221​.​ DOI: https://doi.org/10.1021/jp054611v 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Low Temperature Infrared Spectroscopy Study of Pyrazinamide: From the Isolated Monomer to the Stable Low Temperature Crystalline Phase​
    Borba, A.; Albrecht, M.; Gomez-Zavaglia, A.; Suhm, M. A.   & Fausto, R.​ (2010) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 114(1) pp. 151​-161​.​ DOI: https://doi.org/10.1021/jp907466h 
    ​Details  DOI  PMID  PMC  WoS 
  • 2004 | Journal Article
    ​ ​Low-temperature reactions of OH radicals with propene and isoprene in pulsed laval nozzle expansions​
    Spangenberg, T.; Kohler, S.; Hansmann, B.; Wachsmuth, U.; Abel, B. & Smith, M. A.​ (2004) 
    The Journal of Physical Chemistry A, 108(37) pp. 7527​-7534​.​ DOI: https://doi.org/10.1021/jp031228m 
    ​Details  DOI  WoS 
  • 2016 | Journal Article
    ​ ​Markov State Model of Ion Assembling Process​
    Shevchuk, R.​ (2016) 
    The Journal of Physical Chemistry A, 120(18) pp. 2783​-2788​.​ DOI: https://doi.org/10.1021/acs.jpca.5b11650 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article
    ​ ​Microscopic Roots of Alcohol-Ketone Demixing: Infrared Spectroscopy of Methanol-Acetone Clusters​
    Kollipost, F.; Domanskaya, A. V. & Suhm, M. A. ​ (2015) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(11) pp. 2225​-2232​.​ DOI: https://doi.org/10.1021/jp503999b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2000 | Journal Article
    ​ ​Microwave spectrum, conformation, dipole moment, and quantum chemical calculations of 1-amino-1-ethenylcyclopropane​
    Marstokk, K. M.; de Meijere, A.; Mollendal, H. & Wagner-Gillen, K.​ (2000) 
    The Journal of Physical Chemistry A, 104(13) pp. 2897​-2901​.​ DOI: https://doi.org/10.1021/jp993742r 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Microwave spectrum, conformational equilibrium, intramolecular hydrogen bonding, tunneling, and quantum chemical calculations for 1-ethenylcyclopropan-1-ol​
    Leonov, A.; Marstokk, K. M.; de Meijere, A. & Mollendahl, H.​ (2000) 
    The Journal of Physical Chemistry A, 104(19) pp. 4421​-4428​.​ DOI: https://doi.org/10.1021/jp9940755 
    ​Details  DOI  WoS 
  • 2015 | Conference Paper
    ​ ​Molecular Docking via Olefinic OH center dot center dot center dot pi Interactions: A Bulky Alkene Model System and Its Cooperativity​
    Medel, R.; Heger, M. & Suhm, M. A. ​ (2015)
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 119(9) pp. 1723​-1730. ​25th Austin Symposium on Molecular Structure and Dynamics​, Dallas, TX.
    Washington​: Amer Chemical Soc. DOI: https://doi.org/10.1021/jp508424p 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | Research Paper
    ​ ​Molecular structure of methyldifluoroisocyanato silane: a combined microwave spectral and theoretical study​
    Guirgis, G. A.; Overby, J. S.; Palmer, M. H.; Peebles, R. A.; Peebles, S. A.; Elmuti, L. F. & Obenchain, D. A.  et al.​ (2012) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 116(30) pp. 7822​-7829​.​ DOI: https://doi.org/10.1021/jp302519h 
    ​Details  DOI  PMID  PMC 
  • 2000 | Journal Article
    ​ ​Monomer exchange and concentration fluctuations in poly(ethylene glycol) monoalkyl ether/water mixtures. Dependence upon. nonionic surfactant composition​
    Telgmann, T. & Kaatze, U.​ (2000) 
    The Journal of Physical Chemistry A, 104(21) pp. 4846​-4856​.​ DOI: https://doi.org/10.1021/jp994159d 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Monomer exchange and concentration fluctuations of micelles. Broad-band ultrasonic spectrometry of the system triethylene glycol monohexyl ether/water​
    Telgmann, T. & Kaatze, U.​ (2000) 
    The Journal of Physical Chemistry A, 104(6) pp. 1085​-1094​.​ DOI: https://doi.org/10.1021/jp9923116 
    ​Details  DOI  WoS 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Multibounce and Subsurface Scattering of H Atoms Colliding with a van der Waals Solid​
    Hertl, N.; Kandratsenka, A.; Bünermann, O.   & Wodtke, A. M. ​ (2021) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 125(26) pp. 5745​-5752​.​ DOI: https://doi.org/10.1021/acs.jpca.1c03433 
    ​Details  DOI 
  • 2010 | Journal Article
    ​ ​Mutual Capture of Dipolar Molecules at Low and Very Low Energies. I. Approximate Analytical Treatment​
    Nikitin, E. E. & Troe, J.​ (2010) 
    The Journal of Physical Chemistry A, 114(36) pp. 9762​-9767​.​ DOI: https://doi.org/10.1021/jp102098j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article
    ​ ​Mutual Capture of Dipolar Molecules at Low and Very Low Energies. II. Numerical Study​
    Auzinsh, M.; Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2011) 
    The Journal of Physical Chemistry A, 115(20) pp. 5027​-5037​.​ DOI: https://doi.org/10.1021/jp112098a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2000 | Journal Article
    ​ ​Nonexponential unimolecular decay of jet-cooled NO2: Comparison of time-resolved measurements and quantum mechanical calculations​
    Kirmse, B.; Abel, B.; Schwarzer, D.; Grebenshchikov, S. Y. & Schinke, R.​ (2000) 
    The Journal of Physical Chemistry A, 104(45) pp. 10398​-10408​.​ DOI: https://doi.org/10.1021/jp001422y 
    ​Details  DOI  WoS 
  • 2006 | Journal Article
    ​ ​OH-stretching red shifts in bulky hydrogen-bonded alcohols: Jet spectroscopy and modeling​
    Cezard, C.; Rice, C. A. & Suhm, M. A. ​ (2006) 
    The Journal of Physical Chemistry A, 110(32) pp. 9839​-9848​.​ DOI: https://doi.org/10.1021/jp0610362 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​On the model dependence of kinetic shifts in unimolecular reactions: The dissociation of the cations of benzene and n-butylbenzene​
    Troe, J.; Ushakov, V. G. & Viggiano, A. A.​ (2006) 
    The Journal of Physical Chemistry A, 110(4) pp. 1491​-1499​.​ DOI: https://doi.org/10.1021/jp0529568 
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  • 2014 | Journal Article
    ​ ​Oxidation of Reduced Sulfur Species: Carbon Disulfide​
    Glarborg, P.; Halaburt, B.; Marshall, P.; Guillory, A.; Troe, J.; Thellefsen, M. & Christensen, K.​ (2014) 
    The Journal of Physical Chemistry A, 118(34) pp. 6798​-6809​.​ DOI: https://doi.org/10.1021/jp5058012 
    ​Details  DOI  PMID  PMC  WoS 
  • 2019 | Journal Article
    ​ ​Performance and Cost Assessment of Machine Learning Interatomic Potentials​
    Zuo, Y.; Chen, C.; Li, X.; Deng, Z.; Chen, Y.; Behler, J.   & Csányi, G. et al.​ (2019) 
    The Journal of Physical Chemistry A, 124(4) pp. 731​-745​.​ DOI: https://doi.org/10.1021/acs.jpca.9b08723 
    ​Details  DOI 
  • 2014 | Journal Article
    ​ ​Phenyl- vs Cyclohexyl-Substitution in Methanol: Implications for the OH Conformation and for Dispersion-Affected Aggregation from Vibrational Spectra in Supersonic Jets​
    Altnoeder, J.; Oswald, S. & Suhm, M. A. ​ (2014) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 118(18) pp. 3266​-3279​.​ DOI: https://doi.org/10.1021/jp501763b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article
    ​ ​Photoacid Behavior versus Proton-Coupled Electron Transfer in Phenol-Ru(bpy)(3)(2+) Dyads​
    Kuss-Petermann, M. & Wenger, O. S.​ (2013) 
    The Journal of Physical Chemistry A, 117(28) pp. 5726​-5733​.​ DOI: https://doi.org/10.1021/jp402567m 
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  • 2014 | Journal Article
    ​ ​Photoelectron Imaging Spectroscopy of the Small Sodium Cluster Anions Na-3(-), Na-5(-), and Na-7(-)​
    Bartels, C.; Hock, C.; Kuhnen, R. & v Issendorff, B.​ (2014) 
    The Journal of Physical Chemistry A, 118(37) pp. 8270​-8276​.​ DOI: https://doi.org/10.1021/jp5010902 
    ​Details  DOI  PMID  PMC  WoS 
  • 2019 | Journal Article
    ​ ​Photoelectron–Photofragment Coincidence Studies on the Dissociation Dynamics of the OH–CH 4 Complex​
    Benitez, Y.; Lu, D.; Lunny, K. G.; Li, J.; Guo, H. & Continetti, R. E.​ (2019) 
    The Journal of Physical Chemistry A, 123(23) pp. 4825​-4833​.​ DOI: https://doi.org/10.1021/acs.jpca.9b02441 
    ​Details  DOI 
  • 2012 | Journal Article
    ​ ​Photofragmentation Translational Spectroscopy of Methyl Azide (CH3N3) Photolysis at 193 nm: Molecular and Radical Channel Product Branching Ratio​
    Quinto-Hernandez, A.; Doehla, J.; Huang, W.-T.; Lien, C.-Y.; Lin, W.-Y.; Lin, J. J. Lin, Jim Jr-Min & Wodtke, A. M.​ (2012) 
    The Journal of Physical Chemistry A, 116(19) pp. 4695​-4704​.​ DOI: https://doi.org/10.1021/jp301562c 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Photoinduced isomerization kinetics of diiodomethane in supercritical fluid solution: Local density effects​
    Grimm, C.; Kandratsenka, A.; Wagener, P.; Zerbs, J. & Schroeder, J.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3320​-3329​.​ DOI: https://doi.org/10.1021/jp055608e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2000 | Journal Article
    ​ ​Photophysical characteristics of directly linked pyrene-dimethylaniline derivatives​
    Techert, S. ; Schmatz, S.; Wiessner, A. & Staerk, H.​ (2000) 
    The Journal of Physical Chemistry A, 104(24) pp. 5700​-5710​.​ DOI: https://doi.org/10.1021/jp9935384 
    ​Details  DOI  WoS 
  • 2009 | Journal Article
    ​ ​Photophysics and Photochemistry of an Asymmetrically Substituted Diazene: A Suitable Cage Effect Probe​
    Hoijemberg, P. A.; Zerbs, J.; Reichardt, C.; Schwarzer, D.; Chesta, C. A.; Schroeder, J. & Aramendia, P. F.​ (2009) 
    The Journal of Physical Chemistry A, 113(19) pp. 5531​-5539​.​ DOI: https://doi.org/10.1021/jp809315u 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Pressure and temperature dependence of the recombination of p-fluorobenzyl radicals​
    Lee, C.; Luther, K.; Oum, K. & Troe, J.​ (2006) 
    The Journal of Physical Chemistry A, 110(8) pp. 2613​-2621​.​ DOI: https://doi.org/10.1021/jp056944y 
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  • 2009 | Journal Article
    ​ ​Primary Steps in the Reaction of OH Radicals with Amino Acids at Low Temperatures in Laval Nozzle Expansions: Perspectives from Experiment and Theory​
    Liessmann, M.; Hansmann, B.; Blachly, P. G.; Francisco, J. S. & Abel, B.​ (2009) 
    The Journal of Physical Chemistry A, 113(26) pp. 7570​-7575​.​ DOI: https://doi.org/10.1021/jp9015596 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Product angular distribution for the H+CD4 -> HD+CD3 reaction​
    Rangel, C.; Sanson, J.; Corchado, J. C.; Espinosa-Garcia, J. & Nyman, G.​ (2006) 
    The Journal of Physical Chemistry A, 110(37) pp. 10715​-10719​.​ DOI: https://doi.org/10.1021/jp063298+ 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Product screening of fast reactions in IR-laser-heated liquid water filaments in a vacuum by mass spectrometry​
    Charvat, A.; Stasicki, B. & Abel, B.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3297​-3306​.​ DOI: https://doi.org/10.1021/jp055165e 
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  • 2018 | Journal Article
    ​ ​Quantifying Asymmetry of Multimeric Proteins​
    Brennecke, J. T. & de Groot, B. L. ​ (2018) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122(39) pp. 7924​-7930​.​ DOI: https://doi.org/10.1021/acs.jpca.8b06843 
    ​Details  DOI 
  • 2002 | Journal Article
    ​ ​Quantitative representation of specific rate constants k(E) for the photoisomerization of diphenylpolyenes: The solution of a longstanding problem​
    Schroeder, J.; Steinel, T. & Troe, J.​ (2002) 
    The Journal of Physical Chemistry A, 106(22) pp. 5510​-5516​.​ DOI: https://doi.org/10.1021/jp014387j 
    ​Details  DOI  WoS 
  • 2023 | Journal Article
    ​ ​Quantitative Structure–Reactivity Relationships for Synthesis Planning: The Benzhydrylium Case​
    Eckhoff, M.; Diedrich, J. V.; Mücke, M. & Proppe, J.​ (2023) 
    The Journal of Physical Chemistry A, art. acs.jpca.3c07289​.​ DOI: https://doi.org/10.1021/acs.jpca.3c07289 
    ​Details  DOI 
  • 2009 | Journal Article
    ​ ​Quantum and Classical Fall of a Charged Particle onto a Stationary Dipolar Target​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2009) 
    The Journal of Physical Chemistry A, 113(52) pp. 14212​-14219​.​ DOI: https://doi.org/10.1021/jp901515e 
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  • 2010 | Journal Article
    ​ ​Quantum Chemical Characterization of Low-Lying Excited States of an Aryl Peroxycarbonate: Mechanistic Implications for Photodissociation​
    Olsen, S.; Schwarzer, D.; Troe, J. & Smith, S. C.​ (2010) 
    The Journal of Physical Chemistry A, 114(12) pp. 4289​-4295​.​ DOI: https://doi.org/10.1021/jp9029166 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Radical cations from dicyclopropylidenemethane and its octamethyl derivative​
    Bally, T.; Mueller, B.; Gerson, F.; Qin, X. Z.; von Seebach, M.; Kozhushkov, S. I. & de Meijere, A. et al.​ (2006) 
    The Journal of Physical Chemistry A, 110(3) pp. 1163​-1170​.​ DOI: https://doi.org/10.1021/jp0558775 
    ​Details  DOI  PMID  PMC  WoS 
  • 2002 | Journal Article
    ​ ​Real-time observation of intra- and intermolecular vibrational energy flow of selectively excited alkyl iodides in solution: The effect of chemical substitution​
    Assmann, J.; Charvat, A.; Schwarzer, D.; Kappel, C.; Luther, K. & Abel, B.​ (2002) 
    The Journal of Physical Chemistry A, 106(21) pp. 5197​-5201​.​ DOI: https://doi.org/10.1021/jp015552y 
    ​Details  DOI  WoS 
  • 2001 | Journal Article
    ​ ​Real-time probing of intramolecular vibrational energy redistribution and intermolecular vibrational energy transfer of selectively excited CH2I2 molecules in solution​
    Charvat, A.; Assmann, J.; Abel, B. & Schwarzer, D.​ (2001) 
    The Journal of Physical Chemistry A, 105(21) pp. 5071​-5080​.​ DOI: https://doi.org/10.1021/jp004293u 
    ​Details  DOI  WoS 
  • 2007 | Journal Article
    ​ ​Refined analysis of the thermal dissociation of formaldehyde​
    Troe, J.​ (2007) 
    The Journal of Physical Chemistry A, 111(19) pp. 3862​-3867​.​ DOI: https://doi.org/10.1021/jp0665675 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article
    ​ ​Refined Representation of Falloff Curves for the Reaction HO+NO2+N-2 >(HONO2, HOONO)+N-2​
    Troe, J.​ (2012) 
    The Journal of Physical Chemistry A, 116(24) pp. 6387​-6393​.​ DOI: https://doi.org/10.1021/jp212095n 
    ​Details  DOI  PMID  PMC  WoS 
  • 2001 | Journal Article
    ​ ​Reply to comment by E. Pollak on "Photoisomerization of trans-stilbene in moderately compressed gases: Pressure-dependent effective barriers" (J. Phys. Chem. A 1999, 103, 10528-10529)​
    Meyer, A.; Schroeder, J.; Troe, J. & Votsmeier, M.​ (2001) 
    The Journal of Physical Chemistry A, 105(17) pp. 4381​-4382​.​ DOI: https://doi.org/10.1021/jp0042112 
    ​Details  DOI  WoS 
  • 2010 | Journal Article
    ​ ​Role of Water Complexes in the Reaction of Propionaldehyde with OH Radicals​
    Voehringer-Martinez, E.; Tellbach, E.; Liessmann, M. & Abel, B.​ (2010) 
    The Journal of Physical Chemistry A, 114(36) pp. 9720​-9724​.​ DOI: https://doi.org/10.1021/jp101804j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Rotating-top approximation in reduced-dimensionality quantum calculations of rate constants: Application to complex-forming nucleophilic substitution​
    Hennig, C. & Schmatz, S.​ (2006) 
    The Journal of Physical Chemistry A, 110(4) pp. 1524​-1533​.​ DOI: https://doi.org/10.1021/jp053521n 
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  • 2010 | Journal Article
    ​ ​Rotational and Vibrational Cooling in Pulsed High-Pressure Molecular Beam Expansions from 3 bar into the Supercritical Regime​
    Lenzer, T.; Buersing, R.; Dittmer, A.; Panja, S. S.; Wild, D. A. & Oum, K.​ (2010) 
    The Journal of Physical Chemistry A, 114(22) pp. 6377​-6383​.​ DOI: https://doi.org/10.1021/jp9092207 
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  • 2014 | Journal Article | Research Paper
    ​ ​Rotational spectroscopic studies of C-H · · · F interactions in the vinyl fluoride · · · difluoromethane complex​
    Christenholz, C. L.; Obenchain, D. A. ; Peebles, R. A. & Peebles, S. A.​ (2014) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 118(9) pp. 1610​-1616​.​ DOI: https://doi.org/10.1021/jp500312r 
    ​Details  DOI  PMID  PMC 
  • 2021 | Journal Article
    ​ ​Rotational Spectrum and Molecular Structures of the Binary Aggregates of 1,1,1,3,3,3-Hexafluoro-2-propanol with Ne and Ar​
    Wu, B.; Seifert, N. A.; Oswald, S.; Jäger, W. & Xu, Y.​ (2021) 
    The Journal of Physical Chemistry A, 125(24) pp. 5355​-5364​.​ DOI: https://doi.org/10.1021/acs.jpca.1c03757 
    ​Details  DOI 
  • 2016 | Journal Article
    ​ ​Rotationally Resolved Vacuum Ultraviolet Resonance-Enhanced Multiphoton Ionization (VUV REMPI) of Acetylene via the (G)over-tilde Rydberg State​
    Schmidt-May, A. F.; Gruetter, M.; Neugebohren, J.; Kitsopoulos, T. N. ; Wodtke, A. M.   & Harding, D. J.​ (2016) 
    The Journal of Physical Chemistry A, 120(27) pp. 5399​-5407​.​ DOI: https://doi.org/10.1021/acs.jpca.6b02477 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article
    ​ ​Rovibrational States of N-3(-) and CO2 Up to High J: A Theoretical Study Beyond fc-CCSD(T)​
    Sebald, P.; Stein, C. J.; Oswald, R. B. & Botschwina, P.​ (2013) 
    The Journal of Physical Chemistry A, 117(50) pp. 13806​-13814​.​ DOI: https://doi.org/10.1021/jp4081806 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Secondary kinetic isotope effect in nucleophilic substitution: A quantum-mechanical approach​
    Hennig, C.; Oswald, R. B. & Schmatz, S.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3071​-3079​.​ DOI: https://doi.org/10.1021/jp0540151 
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  • 2017 | Journal Article
    ​ ​Shock Wave and Theoretical Modeling Study of the Dissociation of CH 2 F 2 . I. Primary Processes​
    Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A. & Troe, J. ​ (2017) 
    The Journal of Physical Chemistry A, 121(41) pp. 7813​-7819​.​ DOI: https://doi.org/10.1021/acs.jpca.7b05854 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Shock Wave and Theoretical Modeling Study of the Dissociation of CH 2 F 2 . II. Secondary Reactions​
    Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2017) 
    The Journal of Physical Chemistry A, 121(41) pp. 7820​-7826​.​ DOI: https://doi.org/10.1021/acs.jpca.7b05857 
    ​Details  DOI 
  • 2010 | Conference Paper
    ​ ​Shock Wave Study of the Thermal Decomposition of CF3 and CF2 Radicals​
    Cobos, C. J.; Croce, A. E.; Luther, K. & Troe, J.​ (2010)
    The Journal of Physical Chemistry A, 114(14) pp. 4755​-4761. ​30th International Symposium on Free Radicals​, Savonlinna, FINLAND.
    Washington​: Amer Chemical Soc. DOI: https://doi.org/10.1021/jp9091877 
    ​Details  DOI  PMID  PMC  WoS 
  • 2014 | Journal Article
    ​ ​Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. I. Dissociation of Hexafluoropropene​
    Cobos, C. J.; Soelter, L.; Tellbach, E. & Troe, J.​ (2014) 
    The Journal of Physical Chemistry A, 118(27) pp. 4880​-4888​.​ DOI: https://doi.org/10.1021/jp501569a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2014 | Journal Article
    ​ ​Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2​
    Cobos, C. J.; Soelter, L.; Tellbach, E. & Troe, J.​ (2014) 
    The Journal of Physical Chemistry A, 118(27) pp. 4873​-4879​.​ DOI: https://doi.org/10.1021/jp501577k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2019 | Journal Article
    ​ ​Simplified Analysis and Representation of Multichannel Thermal Unimolecular Reactions​
    Troe, J. ​ (2019) 
    The Journal of Physical Chemistry A, 123(5) pp. 1007​-1014​.​ DOI: https://doi.org/10.1021/acs.jpca.8b11656 
    ​Details  DOI 
  • 2015 | Journal Article
    ​ ​Simplified Representation of Partial and Total Rate Constants of Complex-Forming Bimolecular Reactions​
    Troe, J.​ (2015) 
    The Journal of Physical Chemistry A, 119(50) pp. 12159​-12165​.​ DOI: https://doi.org/10.1021/acs.jpca.5b06019 
    ​Details  DOI  PMID  PMC  WoS 
  • 2000 | Journal Article
    ​ ​Six structures of the hydrazine dimer​
    Dyczmons, V.​ (2000) 
    The Journal of Physical Chemistry A, 104(35) pp. 8263​-8269​.​ DOI: https://doi.org/10.1021/jp0014059 
    ​Details  DOI  WoS 
  • 2006 | Journal Article
    ​ ​Six-dimensional potential energy surface and rovibrational energies of the HCCN radical in the ground electronic state​
    Mladenovic, M.; Botschwina, P. & Puzzarini, C.​ (2006) 
    The Journal of Physical Chemistry A, 110(16) pp. 5520​-5529​.​ DOI: https://doi.org/10.1021/jp056743u 
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  • 2015 | Journal Article
    ​ ​Size-Resolved Infrared Spectroscopic Study of Structural Transitions in Sodium-Doped (H2O)(n) Clusters Containing 10-100 Water Molecules​
    Zurheide, F.; Dierking, C. W.; Pradzynski, C. C.; Forck, R. M.; Flueggen, F.; Buck, U. & Zeuch, T.​ (2015) 
    The Journal of Physical Chemistry A, 119(11) pp. 2709​-2720​.​ DOI: https://doi.org/10.1021/jp509883m 
    ​Details  DOI  PMID  PMC  WoS 
  • 2000 | Journal Article
    ​ ​Slowing down in chemical reactions. The isobutyric acid/water system in the critical region​
    Kaatze, U. & Mirzaev, S. Z.​ (2000) 
    The Journal of Physical Chemistry A, 104(23) pp. 5430​-5436​.​ DOI: https://doi.org/10.1021/jp0000984 
    ​Details  DOI  WoS 
  • 2011 | Journal Article
    ​ ​Sodium Microsolvation in Ethanol: Common Features of Na(HO-R)(n) (R = H, CH3, C2H5) Clusters​
    Forck, R. M.; Dauster, I.; Buck, U. & Zeuch, T.​ (2011) 
    The Journal of Physical Chemistry A, 115(23) pp. 6068​-6076​.​ DOI: https://doi.org/10.1021/jp110584s 
    ​Details  DOI  PMID  PMC  WoS 
  • 2002 | Journal Article
    ​ ​Solution properties of urea and its derivatives in water: Evidence from ultrasonic relaxation spectra​
    Rupprecht, A. & Kaatze, U.​ (2002) 
    The Journal of Physical Chemistry A, 106(38) pp. 8850​-8858​.​ DOI: https://doi.org/10.1021/jp020322k 
    ​Details  DOI  WoS 
  • 2006 | Journal Article
    ​ ​Solvent effects on the S-0(1(1)Ag(-)) -> S-2(1(1)B(u)(+)) transition of beta-carotene, echinenone, canthaxanthin, and astaxanthin in supercritical CO2 and CF3H​
    Chen, Z.; Lee, C.; Lenzer, T. & Oum, K.​ (2006) 
    The Journal of Physical Chemistry A, 110(39) pp. 11291​-11297​.​ DOI: https://doi.org/10.1021/jp0643247 
    ​Details  DOI  PMID  PMC  WoS 
  • 2009 | Journal Article
    ​ ​Solvent-Induced Photostability of Acetylene Molecules in Clusters Probed by Multiphoton Dissociation​
    Farnik, M.; Poterya, V.; Votava, O.; Oncak, M.; Slavicek, P.; Dauster, I. & Buck, U.​ (2009) 
    The Journal of Physical Chemistry A, 113(26) pp. 7322​-7330​.​ DOI: https://doi.org/10.1021/jp811073j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​SP-PLP-EPR study of chain-length-dependent termination in free-radical polymerization of n-dodecyl methacrylate, cyclohexyl methacrylate, and benzyl methacrylate: Evidence of "composite" behavior​
    Buback, M.; Mueller, E. & Russell, G. T.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3222​-3230​.​ DOI: https://doi.org/10.1021/jp054606r 
    ​Details  DOI  PMID  PMC  WoS 
  • 2009 | Journal Article
    ​ ​Specific Rate Constants k(E) of the Dissociation of the Halobenzene Ions: Analysis by Statistical Unimolecular Rate Theories​
    Stevens, W.; Sztaray, B.; Shuman, N. S.; Baer, T. & Troe, J.​ (2009) 
    The Journal of Physical Chemistry A, 113(3) pp. 573​-582​.​ DOI: https://doi.org/10.1021/jp807930k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2022 | Journal Article
    ​ ​Spin-Forbidden Carbon–Carbon Bond Formation in Vibrationally Excited α-CO​
    DeVine, J. A.; Choudhury, A.; Lau, J. A.; Schwarzer, D. & Wodtke, A. M.​ (2022) 
    The Journal of Physical Chemistry A, 126(14) pp. 2270​-2277​.​ DOI: https://doi.org/10.1021/acs.jpca.2c01168 
    ​Details  DOI 
  • 2006 | Journal Article
    ​ ​Spin-lattice relaxation and rotational motion of aromatic triplet-state molecules in supercooled alkane solvents (Part 1)​
    Ruth, A. A. & Nickel, B.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3138​-3150​.​ DOI: https://doi.org/10.1021/jp0545546 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article
    ​ ​State-to-State Time-of-Flight Measurements of NO Scattering from Au(111): Direct Observation of Translation-to-Vibration Coupling in Electronically Nonadiabatic Energy Transfer​
    Golibrzuch, K.; Shirhatti, P. R.; Altschaeffel, J.; Rahinov, I.; Auerbach, D. J.; Wodtke, A. M. & Bartels, C.​ (2013) 
    The Journal of Physical Chemistry A, 117(36) pp. 8750​-8760​.​ DOI: https://doi.org/10.1021/jp403382b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Structural and conformational properties and intramolecular hydrogen bonding of (methylenecyclopropyl) methanol, as studied by microwave spectroscopy and quantum chemical calculations​
    Mollendal, H.; Frank, D. & de Meijere, A. ​ (2006) 
    The Journal of Physical Chemistry A, 110(18) pp. 6054​-6059​.​ DOI: https://doi.org/10.1021/jp060926e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2000 | Journal Article
    ​ ​Structural isomerization and molecular motions of liquid n-alkanes. Ultrasonic and high-frequency shear viscosity relaxation​
    Behrends, R. & Kaatze, U.​ (2000) 
    The Journal of Physical Chemistry A, 104(15) pp. 3269​-3275​.​ DOI: https://doi.org/10.1021/jp994015z 
    ​Details  DOI  WoS 
  • 2007 | Journal Article
    ​ ​Structural preferences, argon nanocoating, and dimerization of n-alkanols as revealed by OH stretching spectroscopy in supersonic jets​
    Wassermann, T. N.; Zielke, P.; Lee, J. J.; Cezard, C. & Suhm, M. A. ​ (2007) 
    The Journal of Physical Chemistry A, 111(31) pp. 7437​-7448​.​ DOI: https://doi.org/10.1021/jp071008z 
    ​Details  DOI  PMID  PMC  WoS 
  • 2004 | Journal Article
    ​ ​Structure-property relationships of prototypical chiral compounds: Case studies​
    Rinderspacher, B. C. & Schreiner, P. R.​ (2004) 
    The Journal of Physical Chemistry A, 108(15) pp. 2867​-2870​.​ DOI: https://doi.org/10.1021/jp036256j 
    ​Details  DOI  WoS 
  • 2012 | Journal Article
    ​ ​Study of Specific Ion-Amino Acid Interactions through the Use of Local Correlation Methods​
    Oliveira, J. C. A.; Feldt, J.; Galamba, N. & Mata, R. A. ​ (2012) 
    The Journal of Physical Chemistry A, 116(22) pp. 5464​-5471​.​ DOI: https://doi.org/10.1021/jp301516b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2001 | Journal Article
    ​ ​Study of the recombination reaction CCl3+O-2 (+M) -> CCl3O2 (+M) at pressures of 2-900 bar and temperatures of 260-346 K​
    Luther, K.; Oum, K. & Troe, J.​ (2001) 
    The Journal of Physical Chemistry A, 105(23) pp. 5535​-5541​.​ DOI: https://doi.org/10.1021/jp003844d 
    ​Details  DOI  WoS 
  • 2005 | Journal Article | Research Paper
    ​ ​Studying molecular 3D structure and dynamics by high-resolution solid-state NMR: Application to l-tyrosine-ethylester​
    Seidel, K. ; Etzkorn, M.; Sonnenberg, L.; Griesinger, C. ; Sebald, A. & Baldus, M.​ (2005) 
    The Journal of Physical Chemistry A, 109(11) pp. 2436​-2442​.​ DOI: https://doi.org/10.1021/jp045605m 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Conference Paper
    ​ ​Temperature and Pressure Dependence of the Reaction 2CF(3) (+ M) double left right arrow C2F6 (+ M)​
    Cobos, C. J.; Croce, A. E.; Luther, K. & Troe, J.​ (2010)
    The Journal of Physical Chemistry A, 114(14) pp. 4748​-4754. ​30th International Symposium on Free Radicals​, Savonlinna, FINLAND.
    Washington​: Amer Chemical Soc. DOI: https://doi.org/10.1021/jp9091464 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article
    ​ ​Temperature and Pressure Dependence of the Reaction S plus CS ( plus M) > CS2 (+M)​
    Glarborg, P.; Marshall, P. & Troe, J.​ (2015) 
    The Journal of Physical Chemistry A, 119(28) pp. 7277​-7281​.​ DOI: https://doi.org/10.1021/Jp5121492 
    ​Details  DOI  PMID  PMC  WoS 
  • 2017 | Journal Article
    ​ ​Temperature and Pressure Dependences of the Reactions of Fe+ with Methyl Halides CH3X (X = Cl, Br, I): Experiments and Kinetic Modeling Results​
    Ard, S. G.; Shuman, N. S.; Martinez, O. J.; Keyes, N. R.; Viggiano, A. A.; Guo, H. & Troe, J.​ (2017) 
    The Journal of Physical Chemistry A, 121(21) pp. 4058​-4068​.​ DOI: https://doi.org/10.1021/acs.jpca.7b02415 
    ​Details  DOI  PMID  PMC  WoS 
  • 2021 | Journal Article
    ​ ​The Barrier for CO 2 Functionalization to Formate on Hydrogenated Pt​
    Fingerhut, J.; Borodin, D.; Schwarzer, M.; Skoulatakis, G.; Auerbach, D. J.; Wodtke, A. M. & Kitsopoulos, T. N.​ (2021) 
    The Journal of Physical Chemistry A, art. acs.jpca.1c04833​.​ DOI: https://doi.org/10.1021/acs.jpca.1c04833 
    ​Details  DOI 
  • 2004 | Journal Article | Letter Note
    ​ ​The impact of a solvent and a methyl rotor on timescales of intramolecular vibrational energy redistribution in aromatic molecules​
    von Benten, R. S.; Link, O.; Abel, B. & Schwarzer, D.​ (2004) 
    The Journal of Physical Chemistry A, 108(3) pp. 363​-367​.​ DOI: https://doi.org/10.1021/jp030974o 
    ​Details  DOI  WoS 
  • 2011 | Journal Article
    ​ ​The Importance of NO+(H2O)(4) in the Conversion of NO+(H2O)(n) to H3O+(H2O)(n): I. Kinetics Measurements and Statistical Rate Modeling​
    Eyet, N.; Shuman, N. S.; Viggiano, A. A.; Troe, J.; Relph, R. A.; Steele, R. P. & Johnson, M. A.​ (2011) 
    The Journal of Physical Chemistry A, 115(26) pp. 7582​-7590​.​ DOI: https://doi.org/10.1021/jp2032803 
    ​Details  DOI  PMID  PMC  WoS 
  • 2004 | Journal Article
    ​ ​The reaction of O-2(+)+C8H10 (ethylbenzene) as a function of pressure and temperature. 2. Analysis of collisional energy transfer of highly excited C8H10+​
    Troe, J.; Viggiano, A. A. & Williams, S.​ (2004) 
    The Journal of Physical Chemistry A, 108(9) pp. 1574​-1581​.​ DOI: https://doi.org/10.1021/jp031122r 
    ​Details  DOI  WoS 
  • 2002 | Journal Article
    ​ ​The trimer structures of hydrazine​
    Dyczmons, V.​ (2002) 
    The Journal of Physical Chemistry A, 106(19) pp. 5031​-5040​.​ DOI: https://doi.org/10.1021/jp020498m 
    ​Details  DOI  WoS 
  • 2007 | Journal Article
    ​ ​Theoretical investigations of oxygen-17 NMR chemical shifts to discriminate among helical forms​
    De Gortari, I.; Galvan, M.; Ireta, J.; Segall, M.; Pickard, C. J. & Payne, M.​ (2007) 
    The Journal of Physical Chemistry A, 111(50) pp. 13099​-13105​.​ DOI: https://doi.org/10.1021/jp0751817 
    ​Details  DOI  PMID  PMC  WoS 
  • 2005 | Journal Article
    ​ ​Theory of multichannel thermal unimolecular reactions. 2. Application to the thermal dissociation of formaldehyde​
    Troe, J.​ (2005) 
    The Journal of Physical Chemistry A, 109(37) pp. 8320​-8328​.​ DOI: https://doi.org/10.1021/jp051027d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2022 | Journal Article
    ​ ​The Thermal Dissociation–Recombination Reactions of SiF4, SiF3, and SiF2: A Shock Wave and Theoretical Modeling Study​
    Cobos, C. J.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2022) 
    The Journal of Physical Chemistry A, art. acs.jpca.2c06529​.​ DOI: https://doi.org/10.1021/acs.jpca.2c06529 
    ​Details  DOI 
  • 2010 | Conference Paper
    ​ ​Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH3, CH2D, CHD2 and CD3: Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations​
    Cunha de Miranda, B. K.; Alcaraz, C.; Elhanine, M.; Noller, B.; Hemberger, P.; Fischer, I. & Garcia, G. A. et al.​ (2010)
    The Journal of Physical Chemistry A, 114(14) pp. 4818​-4830. ​30th International Symposium on Free Radicals​, Savonlinna, FINLAND.
    Washington​: Amer Chemical Soc. DOI: https://doi.org/10.1021/jp909422q 
    ​Details  DOI  WoS 
  • 2006 | Journal Article
    ​ ​Transient lens spectroscopy of ultrafast internal conversion processes in citranaxanthin​
    Lenzer, T.; Oum, K.; Seehusen, J. & Seidel, M. T.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 3159​-3164​.​ DOI: https://doi.org/10.1021/jp054563e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Tuning the hydrogen bond donor/acceptor isomerism in jet-cooled mixed dimers of aliphatic alcohols​
    Emmeluth, C.; Dyczmons, V. & Suhm, M. A. ​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 2906​-2915​.​ DOI: https://doi.org/10.1021/jp0540407 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Two-channel dissociation of chemically and thermally activated n-butylbenzene cations (C10H14+)​
    Fernandez, A. I.; Viggiano, A. A. & Troe, J.​ (2006) 
    The Journal of Physical Chemistry A, 110(27) pp. 8467​-8476​.​ DOI: https://doi.org/10.1021/jp056846c 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article
    ​ ​Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT​
    Druzhinin, S. I.; Galievsky, V. A.; Demeter, A.; Kovalenko, S. A.; Senyushkina, T. A.; Dubbaka, S. R. & Knoche, P. et al.​ (2015) 
    The Journal of Physical Chemistry A, 119(49) pp. 11820​-11836​.​ DOI: https://doi.org/10.1021/acs.jpca.5b09368 
    ​Details  DOI  PMID  PMC  WoS 
  • 2003 | Journal Article
    ​ ​Ultrafast decarboxylation of carbonyloxy radicals: Influence of molecular structure​
    Abel, B.; Assmann, J.; Buback, M.; Grimm, C.; Kling, M.; Schmatz, S. & Schroeder, J. et al.​ (2003) 
    The Journal of Physical Chemistry A, 107(45) pp. 9499​-9510​.​ DOI: https://doi.org/10.1021/jp0350823 
    ​Details  DOI  WoS 
  • 2006 | Journal Article
    ​ ​Unraveling the origin of band shapes in infrared spectra of N2O-(CO2)-C-12 and (CO2)-C-12-(CO2)-C-13 ice particles​
    Signorell, R.; Jetzki, M.; Kunzmann, M. & Ueberschaer, R.​ (2006) 
    The Journal of Physical Chemistry A, 110(9) pp. 2890​-2897​.​ DOI: https://doi.org/10.1021/jp053021u 
    ​Details  DOI  PMID  PMC  WoS 
  • 2019 | Journal Article | Research Paper
    ​ ​Unraveling the Thermal Isomerization Mechanisms of Heteroaryl Azoswitches: Phenylazoindoles as Case Study​
    Crespi, S.; Simeth, N. A. ; Bellisario, A.; Fagnoni, M. & König, B.​ (2019) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 123(9) pp. 1814​-1823​.​ DOI: https://doi.org/10.1021/acs.jpca.8b11734 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article
    ​ ​Using Ion Imaging to Measure Velocity Distributions in Surface Scattering Experiments​
    Harding, D. J.; Neugebohren, J.; Auerbach, D. J.; Kitsopoulos, T. N.   & Wodtke, A. M. ​ (2015) 
    The Journal of Physical Chemistry A, 119(50) pp. 12255​-12262​.​ DOI: https://doi.org/10.1021/acs.jpca.5b06272 
    ​Details  DOI  PMID  PMC  WoS 
  • 2018 | Journal Article
    ​ ​UV and IR Photochemistries of Malonaldehyde Trapped in Cryogenic Matrices​
    Trivella, A.; Wassermann, T. N.; Manca Tanner, C.; Lüttschwager, N. O. B. & Coussan, S.​ (2018) 
    The Journal of Physical Chemistry A, 122(9) pp. 2376​-2393​.​ DOI: https://doi.org/10.1021/acs.jpca.7b11980 
    ​Details  DOI 
  • 2003 | Journal Article
    ​ ​Vibrational energy relaxation of selectively excited aromatic molecules in solution: The effect of a methyl rotor and its chemical substitution​
    Assmann, J.; von Benton, R.; Charvat, A. & Abel, B.​ (2003) 
    The Journal of Physical Chemistry A, 107(12) pp. 1904​-1913​.​ DOI: https://doi.org/10.1021/jp026817r 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Water-ethanol mixtures at different compositions and temperatures. A dieletric relaxation study​
    Petong, P.; Pottel, R. & Kaatze, U.​ (2000) 
    The Journal of Physical Chemistry A, 104(32) pp. 7420​-7428​.​ DOI: https://doi.org/10.1021/jp001393r 
    ​Details  DOI  WoS 
  • 2020 | Journal Article | Research Paper
    ​ ​Wide-Field Fluorescence Lifetime Imaging of Single Molecules​
    Oleksiievets, N.; Thiele, J. C. ; Weber, A.; Gregor, I. ; Nevskyi, O.; Isbaner, S. & Tsukanov, R.  et al.​ (2020) 
    The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 124(17) pp. 3494​-3500​.​ DOI: https://doi.org/10.1021/acs.jpca.0c01513 
    ​Details  DOI  PMID  PMC 

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