Physical Chemistry, Chemical Physics

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  • 2019 | Journal Article
    ​ ​Influence of mineralization and injection flow rate on flow patterns in three-dimensional porous media​
    Moosavi, R.; Kumar, A.; De Wit, A. & Schröter, M.​ (2019) 
    Physical Chemistry Chemical Physics, 21(27) pp. 14605​-14611​.​ DOI: https://doi.org/10.1039/C9CP01382B 
    ​Details  DOI 
  • 2019 | Journal Article | Research Paper
    ​ ​Tetrel bonds and conformational equilibria in the formamide–CO2 complex: a rotational study​
    Gao, S.; Obenchain, D. A. ; Lei, J.; Feng, G.; Herbers, S.; Gou, Q. & Grabow, J.-U.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(13) pp. 7016​-7020​.​ DOI: https://doi.org/10.1039/C9CP00055K 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Absorption spectra at the iodine 3d ionisation threshold following the CHxI+ (x = 0–3) cation sequence​
    Schubert, K.; Guda, A. A.; Mertens, K.; Schunck, J. O.; Schippers, S.; Müller, A. & Bari, S. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(45) pp. 25415​-25424​.​ DOI: https://doi.org/10.1039/C9CP04640B 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds​
    Oswald, S. & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(35) pp. 18799​-18810​.​ DOI: https://doi.org/10.1039/C9CP03651B 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study​
    Oswald, S.; Suhm, M. A.   & Coussan, S.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(3) pp. 1277​-1284​.​ DOI: https://doi.org/10.1039/C8CP07053A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study​
    Forsting, T.; Zischang, J.; Suhm, M. A. ; Eckhoff, M.; Schröder, B.   & Mata, R. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(11) pp. 5989​-5998​.​ DOI: https://doi.org/10.1039/C9CP00399A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3)​
    Bari, S.; Inhester, L.; Schubert, K.; Mertens, K.; Schunck, J. O.; Dörner, S. & Deinert, S. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(30) pp. 16505​-16514​.​ DOI: https://doi.org/10.1039/C9CP02864A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Electron transfer mediates vibrational relaxation of CO in collisions with Ag(111)​
    Wagner, R. J. V.; Krüger, B. C.; Park, G. B.; Wallrabe, M.; Wodtke, A. M. & Schäfer, T.​ (2019) 
    Physical Chemistry Chemical Physics, 21(4) pp. 1650​-1655​.​ DOI: https://doi.org/10.1039/C8CP06041J 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Phenylacetylene as a gas phase sliding balance for solvating alcohols​
    Karir, G.; Lüttschwager, N. O. B.   & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(15) pp. 7831​-7840​.​ DOI: https://doi.org/10.1039/C9CP00435A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry​
    Li, J.; Song, K. & Behler, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(19) pp. 9672​-9682​.​ DOI: https://doi.org/10.1039/C8CP06919K 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water​
    Bernhard, D.; Fatima, M.; Poblotzki, A.; Steber, A. L.; Pérez, C.; Suhm, M. A.   & Schnell, M.  et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(29) pp. 16032​-16046​.​ DOI: https://doi.org/10.1039/C9CP02635E 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Falloff curves and mechanism of thermal decomposition of CF 3 I in shock waves​
    Cobos, C. J.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(43) pp. 23893​-23899​.​ DOI: https://doi.org/10.1039/C9CP04771A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Shiga toxin binding alters lipid packing and the domain structure of Gb 3 -containing membranes: a solid-state NMR study​
    Bosse, M.; Sibold, J. ; Scheidt, H. A.; Patalag, L. J.; Kettelhoit, K.; Ries, A.   & Werz, D. B. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(28) pp. 15630​-15638​.​ DOI: https://doi.org/10.1039/C9CP02501D 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Shock wave and modelling study of the dissociation pathways of (C 2 F 5 ) 3 N​
    Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A. & Troe, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(19) pp. 9785​-9792​.​ DOI: https://doi.org/10.1039/C9CP01142K 
    ​Details  DOI 
  • 2019 | Journal Article
    ​ ​A high-throughput computational approach to UV-Vis spectra in protein mutants​
    Paulikat, M.; Mata, R. A.   & Gelabert, R.​ (2019) 
    Physical Chemistry Chemical Physics, 21(37) pp. 20678​-20692​.​ DOI: https://doi.org/10.1039/c9cp03908b 
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  • 2019 | Journal Article | 
    ​ ​Production of highly concentrated and hyperpolarized metabolites within seconds in high and low magnetic fields​
    Korchak, S.; Emondts, M.; Mamone, S.; Blümich, B. & Glöggler, S.​ (2019) 
    Physical Chemistry Chemical Physics, 21(41) pp. 22849​-22856​.​ DOI: https://doi.org/10.1039/C9CP05227E 
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  • 2018 | Journal Article | Research Paper
    ​ ​Ab initio conformational analysis of 1,2,3,4-tetrahydroquinoline and the high-resolution rotational spectrum of its lowest energy conformer​
    Luková, K.; Nesvadba, R.; Uhlíková, T.; Obenchain, D. A. ; Wachsmuth, D.; Grabow, J.-U. & Urban, Š.​ (2018) 
    Physical Chemistry, Chemical Physics, 20(21) pp. 14664​-14670​.​ DOI: https://doi.org/10.1039/c8cp00953h 
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  • 2018 | Journal Article | Research Paper
    ​ ​The effects of osmolytes and crowding on the pressure-induced dissociation and inactivation of dimeric LADH​
    Julius, K.; Al-Ayoubi, S. R.; Paulus, M.; Tolan, M.   & Winter, R.​ (2018) 
    Physical Chemistry, Chemical Physics, 20(10) pp. 7093​-7104​.​ DOI: https://doi.org/10.1039/c7cp08242h 
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  • 2018 | Journal Article
    ​ ​Kinetics in the real world: linking molecules, processes, and systems​
    Kohse-Höinghaus, K.; Troe, J. ; Grabow, J.-U.; Olzmann, M.; Friedrichs, G. & Hungenberg, K.-D.​ (2018) 
    Physical Chemistry Chemical Physics, 20(16) pp. 10561​-10568​.​ DOI: https://doi.org/10.1039/C8CP90054J 
    ​Details  DOI 
  • 2018 | Journal Article
    ​ ​Quantifying the influence of the ion cloud on SAXS profiles of charged proteins​
    Ivanović, M. T.; Bruetzel, L. K.; Shevchuk, R.; Lipfert, J. & Hub, J. S. ​ (2018) 
    Physical Chemistry Chemical Physics, 20(41) pp. 26351​-26361​.​ DOI: https://doi.org/10.1039/C8CP03080D 
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  • 2018 | Journal Article
    ​ ​Modelling absorption and emission of a meso -aniline–BODIPY based dye with molecular mechanics​
    de Jong, F.; Feldt, M.; Feldt, J. & Harvey, J. N.​ (2018) 
    Physical Chemistry Chemical Physics, 20(21) pp. 14537​-14544​.​ DOI: https://doi.org/10.1039/C8CP01877D 
    ​Details  DOI 
  • 2018 | Journal Article
    ​ ​Dynamical decoupling of nitroxides in o -terphenyl: a study of temperature, deuteration and concentration effects​
    Soetbeer, J.; Hülsmann, M.; Godt, A.; Polyhach, Y. & Jeschke, G.​ (2018) 
    Physical Chemistry, Chemical Physics, 20(3) pp. 1615​-1628​.​ DOI: https://doi.org/10.1039/C7CP07074H 
    ​Details  DOI 
  • 2018 | Journal Article
    ​ ​Experimental and modelling study of the multichannel thermal dissociations of CH 3 F and CH 2 F​
    Cobos, C. J.; Knight, G.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2018) 
    Physical Chemistry Chemical Physics, 20(4) pp. 2627​-2636​.​ DOI: https://doi.org/10.1039/C7CP07098E 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Isomer-Dependent Fragmentation Dynamics of Inner-Shell Photoionized Difluoroiodobenzene​
    Ablikim, U.; Bomme, C.; Savelyev, E.; Xiong, H.; Obaid, R.; Kaderiya, B. & Augustin, S. et al.​ (2017) 
    Physical Chemistry, Chemical Physics, 19(21) pp. 13419​-13431​.​ DOI: https://doi.org/10.1039/C7CP01379E 
    ​Details  DOI  arXiv 
  • 2017 | Journal Article
    ​ ​Surface phase diagram prediction from a minimal number of DFT calculations: redox-active adsorbates on zinc oxide​
    Hellström, M. & Behler, J.​ (2017) 
    Physical Chemistry Chemical Physics, 19(42) pp. 28731​-28748​.​ DOI: https://doi.org/10.1039/C7CP05182D 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Trapping-desorption and direct-scattering of formaldehyde at Au(111)​
    Krüger, B. C. ; Park, G. B.; Meyer, S.; Wagner, R. J. V.; Wodtke, A. M.   & Schäfer, T.​ (2017) 
    Physical Chemistry Chemical Physics, 19(30) pp. 19896​-19903​.​ DOI: https://doi.org/10.1039/C7CP03907G 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Formation of ordered mesostructured TiO 2 thin films: a soft coarse-grained simulation study​
    Tang, Q.; Angelomé, P. C.; Soler-Illia, G. J. A. A. & Müller, M.​ (2017) 
    Physical Chemistry, Chemical Physics, 19(41) pp. 28249​-28262​.​ DOI: https://doi.org/10.1039/C7CP05304E 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Defect-free network formation and swelling behavior in ionic liquid-based electrolytes of tetra-arm polymers synthesized using a Michael addition reaction​
    Yoshitake, M.; Kamiyama, Y.; Nishi, K.; Yoshimoto, N.; Morita, M.; Sakai, T. & Fujii, K.​ (2017) 
    Physical Chemistry Chemical Physics, 19(44) pp. 29984​-29990​.​ DOI: https://doi.org/10.1039/C7CP06126A 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Exploring the chemical kinetics of partially oxidized intermediates by combining experiments, theory, and kinetic modeling​
    Hoyermann, K. ; Mauß, F.; Olzmann, M.; Welz, O. & Zeuch, T. ​ (2017) 
    Physical Chemistry Chemical Physics, 19(28) pp. 18128​-18146​.​ DOI: https://doi.org/10.1039/C7CP02759A 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​Photo-induced radical polarization and liquid-state dynamic nuclear polarization using fullerene nitroxide derivatives​
    Liu, G.; Liou, S.-H.; Enkin, N.; Tkach, I. & Bennati, M. ​ (2017) 
    Physical Chemistry, Chemical Physics, 19(47) pp. 31823​-31829​.​ DOI: https://doi.org/10.1039/C7CP06073D 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​An axis-specific rotational rainbow in the direct scatter of formaldehyde from Au(111) and its influence on trapping probability​
    Park, G. B.; Krüger, B. C.; Meyer, S.; Kandratsenka, A.; Wodtke, A. M. & Schäfer, T.​ (2017) 
    Physical Chemistry Chemical Physics, 19(30) pp. 19904​-19915​.​ DOI: https://doi.org/10.1039/C7CP03922K 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state​
    Bernhard, D.; Dietrich, F.; Fatima, M.; Perez, C.; Poblotzki, A.; Jansen, G. & Suhm, M. A.  et al.​ (2017) 
    Physical Chemistry, Chemical Physics, 19(27) pp. 18076​-18088​.​ DOI: https://doi.org/10.1039/C7CP02967E 
    ​Details  DOI 
  • 2017 | Journal Article
    ​ ​Shock wave studies of the pyrolysis of fluorocarbon oxygenates. I. The thermal dissociation of C3F6O and CF3COF​
    Cobos, C. J.; Hintzer, K.; Soelter, L.; Tellbach, E.; Thaler, A. & Troe, J.​ (2017) 
    Physical Chemistry Chemical Physics, 19(4) pp. 3151​-3158​.​ DOI: https://doi.org/10.1039/c6cp06816b 
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  • 2017 | Journal Article | 
    ​ ​Correcting the record: the dimers and trimers of trans-N-methylacetamide​
    Forsting, T.; Gottschalk, H. C.; Hartwig, B.; Mons, M. & Suhm, M. A.​ (2017) 
    Physical Chemistry Chemical Physics, 19(17) pp. 10727​-10737​.​ DOI: https://doi.org/10.1039/C6CP07989J 
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  • 2017 | Journal Article
    ​ ​Shock wave studies of the pyrolysis of fluorocarbon oxygenates. II. The thermal dissociation of C4F8O​
    Cobos, C. J.; Hintzer, K.; Soelter, L.; Tellbach, E.; Thaler, A. & Troe, J.​ (2017) 
    Physical Chemistry Chemical Physics, 19(4) pp. 3159​-3164​.​ DOI: https://doi.org/10.1039/c6cp06822g 
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  • 2017 | Journal Article | Research Paper
    ​ ​Ultrafast IR spectroscopy of photo-induced electron transfer in self-assembled donor-acceptor coordination cages​
    Ahrens, J.; Frank, M.; Clever, G. H. & Schwarzer, D. ​ (2017) 
    Physical Chemistry Chemical Physics, 19(21) pp. 13596​-13603​.​ DOI: https://doi.org/10.1039/c7cp02253k 
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  • 2017 | Journal Article
    ​ ​High level potential energy surface and mechanism of Al(CH3)2OCH3-promoted lactone polymerization: initiation and propagation​
    Vogt-Geisse, S.; Mata, R. A.   & Toro-Labbe, A.​ (2017) 
    Physical Chemistry, Chemical Physics, 19(13) pp. 8989​-8999​.​ DOI: https://doi.org/10.1039/c7cp00809k 
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  • 2017 | Journal Article | Research Paper
    ​ ​Charge attachment induced transport - bulk and grain boundary diffusion of potassium in PrMnO3​
    Martin, J.; Graef, M.; Kramer, T. ; Jooss, C. ; Choe, M.-J.; Thornton, K. & Weitzel, K.-M.​ (2017) 
    Physical Chemistry Chemical Physics, 19(15) pp. 9762​-9769​.​ DOI: https://doi.org/10.1039/c7cp00198c 
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  • 2016 | Journal Article | Research Paper
    ​ ​Formation of CaB6 in the thermal decomposition of the hydrogen storage material Ca(BH4)2​
    Sahle, C. J.; Sternemann, C.; Giacobbe, C.; Yan, Y.; Weis, C.; Harder, M. & Forov, Y. et al.​ (2016) 
    Physical Chemistry, Chemical Physics, 18(29) pp. 19866​-19872​.​ DOI: https://doi.org/10.1039/c6cp02495e 
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  • 2016 | Journal Article
    ​ ​Calculations of the active mode and energetic barrier to electron attachment to CF3 and comparison with kinetic modeling of experimental results​
    Han, H.; Alday, B.; Shuman, N. S.; Wiens, J. P.; Troe, J.; Viggianob, A. A. & Guo, H.​ (2016) 
    Physical Chemistry Chemical Physics, 18(45) pp. 31064​-31071​.​ DOI: https://doi.org/10.1039/c6cp05867a 
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  • 2016 | Journal Article | Research Paper | 
    ​ ​Intramolecular structure and energetics in supercooled water down to 255 K​
    Lehmkühler, F.; Forov, Y.; Büning, T.; Sahle, C. J.; Steinke, I.; Julius, K. & Buslaps, T. et al.​ (2016) 
    Physical Chemistry, Chemical Physics, 18(9) pp. 6925​-6930​.​ DOI: https://doi.org/10.1039/C5CP07721D 
    ​Details  DOI 
  • 2016 | Journal Article | 
    ​ ​Reaction cross sections and thermal rate constant for Cl− + CH 3 Br → ClCH 3+ Br− from J-dependent quantum scattering calculations​
    Hennig, C. & Schmatz, S.​ (2016) 
    Physical Chemistry Chemical Physics, 18(29) pp. 19668​-19675​.​ DOI: https://doi.org/10.1039/C6CP02799G 
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  • 2016 | Journal Article | 
    ​ ​Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles​
    Zhu, Q.; Zheng, K.; Abdellah, M.; Generalov, A.; Haase, D.; Carlson, S. & Niu, Y. et al.​ (2016) 
    Physical Chemistry Chemical Physics, 18(22) pp. 14933​-14940​.​ DOI: https://doi.org/10.1039/C6CP01843B 
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  • 2016 | Journal Article | Research Paper | 
    ​ ​In situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy​
    Sahle, C. J.; Kujawski, S.; Remhof, A.; Yan, Y.; Stadie, N. P.; Al-Zein, A. & Tolan, M.  et al.​ (2016) 
    Physical Chemistry, Chemical Physics, 18(7) pp. 5397​-5403​.​ DOI: https://doi.org/10.1039/C5CP06571B 
    ​Details  DOI 
  • 2016 | Journal Article | Research Paper
    ​ ​Phase behavior of lysozyme solutions in the liquid-liquid phase coexistence region at high hydrostatic pressures​
    Schulze, J.; Möller, J.; Weine, J.; Julius, K.; König, N.; Nase, J. & Paulus, M. et al.​ (2016) 
    Physical Chemistry, Chemical Physics, 18(21) pp. 14252​-14256​.​ DOI: https://doi.org/10.1039/c6cp01791f 
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  • 2016 | Journal Article
    ​ ​Vacuum ultraviolet photodissociation of hydrogen bromide​
    Su, S.; Dorenkamp, Y.; Yu, S.; Wodtke, A. M.; Dai, D.; Yuan, K. & Yang, X.​ (2016) 
    Physical Chemistry Chemical Physics, 18(22) pp. 15399​-15405​.​ DOI: https://doi.org/10.1039/c6cp01956k 
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  • 2016 | Journal Article
    ​ ​Facilitated diffusion in the presence of obstacles on the DNA​
    Gomez, D. & Klumpp, S.​ (2016) 
    Physical Chemistry Chemical Physics, 18(16) pp. 11184​-11192​.​ DOI: https://doi.org/10.1039/c6cp00307a 
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  • 2016 | Journal Article | 
    ​ ​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​
    Krueger, B. C.; Bartels, N.; Wodtke, A. M. & Schaefer, T.​ (2016) 
    Physical Chemistry Chemical Physics, 18(22) pp. 14976​-14979​.​ DOI: https://doi.org/10.1039/c6cp02100j 
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  • 2016 | Journal Article | 
    ​ ​Subtle solvation behaviour of a biofuel additive: the methanol complex with 2,5-dimethylfuran​
    Poblotzki, A.; Altnöder, J. & Suhm, M. A.​ (2016) 
    Physical Chemistry Chemical Physics, 18(39) pp. 27265​-27271​.​ DOI: https://doi.org/10.1039/c6cp05413g 
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  • 2016 | Journal Article
    ​ ​Aromatic embedding wins over classical hydrogen bonding - a multi-spectroscopic approach for the diphenyl ether-methanol complex​
    Medcraft, C.; Zinn, S.; Schnell, M.; Poblotzki, A.; Altnoeder, J.; Heger, M. & Suhm, M. A.  et al.​ (2016) 
    Physical Chemistry Chemical Physics, 18(37) pp. 25975​-25983​.​ DOI: https://doi.org/10.1039/c6cp03557d 
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  • 2016 | Journal Article
    ​ ​Shock wave and modeling study of the reaction CF4 (+M) double left right arrow CF3 + F (+M)​
    Knight, G.; Soelter, L.; Tellbach, E. & Troe, J.​ (2016) 
    Physical Chemistry Chemical Physics, 18(26) pp. 17592​-17596​.​ DOI: https://doi.org/10.1039/c6cp03010f 
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  • 2016 | Journal Article | 
    ​ ​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​
    Park, G. B.; Krueger, B. C.; Meyer, S.; Wodtke, A. M. & Schaefer, T.​ (2016) 
    Physical Chemistry Chemical Physics, 18(32) pp. 22355​-22363​.​ DOI: https://doi.org/10.1039/c6cp03833f 
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  • 2016 | Journal Article | 
    ​ ​The donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices​
    Heger, M.; Andersen, J. M.; Suhm, M. A.   & Larsen, R. W.​ (2016) 
    Physical Chemistry Chemical Physics, 18(5) pp. 3739​-3745​.​ DOI: https://doi.org/10.1039/c5cp07387a 
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  • 2015 | Journal Article | Research Paper
    ​ ​Internal dynamics in the molecular complex of CF3CN and H2O​
    Lin, W.; Wu, A.; Lu, X.; Tang, X.; Obenchain, D. A.   & Novick, S. E.​ (2015) 
    Physical Chemistry, Chemical Physics, 17(26) pp. 17266​-17270​.​ DOI: https://doi.org/10.1039/c5cp01550b 
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  • 2015 | Journal Article | 
    ​ ​Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol.​
    Heger, M.; Otto, K. E.; Mata, R. A.   & Suhm, M. A. ​ (2015) 
    Physical Chemistry, Chemical Physics, 17(15) pp. 9899​-9909​.​ DOI: https://doi.org/10.1039/c4cp05868b 
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  • 2015 | Journal Article
    ​ ​Charge separation and isolation in strong water droplet impacts​
    Wiederschein, F. ; Vöhringer-Martinez, E.; Beinsen, A.; Postberg, F.; Schmidt, J. ; Srama, R. & Stolz, F. et al.​ (2015) 
    Physical Chemistry Chemical Physics, 17(10) pp. 6858​-6864​.​ DOI: https://doi.org/10.1039/C4CP05618C 
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  • 2015 | Journal Article | Research Paper | 
    ​ ​To π or not to π – how does methanol dock onto anisole?​
    Heger, M.; Suhm, M. A. ; Altnöder, J. & Poblotzki, A.​ (2015) 
    Physical Chemistry, Chemical Physics, 17(19) pp. 13045​-13052​.​ DOI: https://doi.org/10.1039/C5CP01545F 
    ​Details  DOI 
  • 2015 | Journal Article
    ​ ​Statistical modeling of the reactions Fe+ + N2O -> FeO+ + N-2 and FeO+ + CO -> Fe+ + CO2​
    Ushakov, V. G.; Troe, J.; Johnson, R. S.; Guo, H.; Ard, S. G.; Melko, J. J. & Shuman, N. S. et al.​ (2015) 
    Physical Chemistry Chemical Physics, 17(30) pp. 19700​-19708​.​ DOI: https://doi.org/10.1039/c5cp01416f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​Adsorbate enhancement of electron emission during the quenching of metastable CO at metal surfaces​
    Engelhart, D. P.; Wagner, R. J. V.; Johnsen, P. C.; Wodtke, A. M. & Schaefer, T.​ (2015) 
    Physical Chemistry Chemical Physics, 17(17) pp. 11540​-11545​.​ DOI: https://doi.org/10.1039/c5cp01255d 
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  • 2015 | Journal Article
    ​ ​Spin-inversion and spin-selection in the reactions FeO+ + H-2 and Fe+ + N2O​
    Ard, S. G.; Johnson, R. S.; Melko, J. J.; Martinez, O. J.; Shuman, N. S.; Ushakov, V. G. & Guo, H. et al.​ (2015) 
    Physical Chemistry Chemical Physics, 17(30) pp. 19709​-19717​.​ DOI: https://doi.org/10.1039/c5cp01418b 
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  • 2015 | Journal Article
    ​ ​The vibrational relaxation of NO in Ar: tunneling in a curve-crossing mechanism​
    Dashevskaya, E. I.; Nikitin, E. E. & Troe, J.​ (2015) 
    Physical Chemistry Chemical Physics, 17(1) pp. 151​-158​.​ DOI: https://doi.org/10.1039/c4cp04107k 
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  • 2015 | Journal Article
    ​ ​Incorporation of Zn2+ ions into BaTiO3:Er3+/Yb3+ nanophosphor: an effective way to enhance upconversion, defect luminescence and temperature sensing​
    Mahata, M. K.; Koppe, T.; Mondal, T.; Bruesewitz, C.; Kumar, K.; Rai, V. K. & Hofsaess, H. et al.​ (2015) 
    Physical Chemistry Chemical Physics, 17(32) pp. 20741​-20753​.​ DOI: https://doi.org/10.1039/c5cp01874a 
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  • 2015 | Journal Article | 
    ​ ​Collisional relaxation of apocarotenals: identifying the S state with vibrationally excited molecules in the ground electronic state S-0 ​
    Ehlers, F.; Scholz, M.; Schimpfhauser, J.; Bienert, J.; Oum, K. & Lenzer, T.​ (2015) 
    Physical Chemistry Chemical Physics, 17(16) pp. 10478​-10488​.​ DOI: https://doi.org/10.1039/c4cp05600k 
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  • 2015 | Journal Article | 
    ​ ​The optical properties and quantum chemical calculations of thienyl and furyl derivatives of pyrene​
    Idzik, K. R.; Cywinski, P. J.; Kuznik, W.; Frydel, J.; Licha, T. & Ratajczyk, T.​ (2015) 
    Physical Chemistry Chemical Physics, 17(35) pp. 22758​-22769​.​ DOI: https://doi.org/10.1039/c5cp03013g 
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  • 2015 | Journal Article | 
    ​ ​Mechanisms of S(N)2 reactions: insights from a nearside/farside analysis​
    Hennig, C. & Schmatz, S.​ (2015) 
    Physical Chemistry Chemical Physics, 17(40) pp. 26670​-26676​.​ DOI: https://doi.org/10.1039/c5cp04312c 
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  • 2015 | Journal Article | 
    ​ ​Photoluminescence of a single quantum emitter in a strongly inhomogeneous chemical environment​
    Chizhik, A. M.; Tarpani, L.; Latterini, L.; Gregor, I.; Enderlein, J.   & Chizhik, A. I.​ (2015) 
    Physical Chemistry Chemical Physics, 17(22) pp. 14994​-15000​.​ DOI: https://doi.org/10.1039/c5cp01371b 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | 
    ​ ​To pi or not to pi - how does methanol dock onto anisole?​
    Heger, M.; Altnoeder, J.; Poblotzki, A. & Suhm, M. A. ​ (2015) 
    Physical Chemistry Chemical Physics, 17(19) pp. 13045​-13052​.​ DOI: https://doi.org/10.1039/c5cp01545f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​Vibrational spectra and structures of SinC clusters (n=3-8)​
    Nguyen Xuan Truong, N. X. T.; Savoca, M.; Harding, D. J.; Fielicke, A. & Dopfer, O.​ (2015) 
    Physical Chemistry Chemical Physics, 17(29) pp. 18961​-18970​.​ DOI: https://doi.org/10.1039/c5cp02588e 
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  • 2015 | Journal Article
    ​ ​A high saturation factor in Overhauser DNP with nitroxide derivatives: the role of N-14 nuclear spin relaxation​
    Enkin, N.; Liu, G.; Gimenez-Lopez, M. del C.; Porfyrakis, K.; Tkach, I. & Bennati, M. ​ (2015) 
    Physical Chemistry Chemical Physics, 17(17) pp. 11144​-11149​.​ DOI: https://doi.org/10.1039/c5cp00935a 
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  • 2015 | Journal Article
    ​ ​Shock wave study and theoretical modeling of the thermal decomposition of c-C4F8​
    Cobos, C. J.; Hintzer, K.; Soelter, L.; Tellbach, E.; Thaler, A. & Troe, J.​ (2015) 
    Physical Chemistry Chemical Physics, 17(48) pp. 32219​-32224​.​ DOI: https://doi.org/10.1039/c5cp05366h 
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  • 2014 | Journal Article | Research Paper
    ​ ​Specific anion effects on the pressure dependence of the protein-protein interaction potential​
    Möller, J.; Grobelny, S.; Schulze, J.; Steffen, A.; Bieder, S.; Paulus, M. & Tolan, M.  et al.​ (2014) 
    Physical Chemistry, Chemical Physics, 16(16) pp. 7423​-7429​.​ DOI: https://doi.org/10.1039/c3cp55278k 
    ​Details  DOI  PMID  PMC 
  • 2014 | Journal Article
    ​ ​Contribution of Coulomb explosion to form factors and mosaicity spread in single particle X-ray scattering​
    Debnarova, A.; Techert, S.   & Schmatz, S.​ (2014) 
    Physical Chemistry Chemical Physics, 16(2) pp. 792​-798​.​ DOI: https://doi.org/10.1039/c3cp54011a 
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  • 2014 | Journal Article
    ​ ​Probing the electronic and geometric structure of ferric and ferrous myoglobins in physiological solutions by Fe K-edge absorption spectroscopy​
    Lima, F. A.; Penfold, T. J.; van der Veen, R. M.; Reinhard, M.; Abela, R.; Tavernelli, I. & Rothlisberger, U. et al.​ (2014) 
    Physical Chemistry, Chemical Physics, 16(4) pp. 1617​-1631​.​ DOI: https://doi.org/10.1039/C3CP53683A 
    ​Details  DOI 
  • 2014 | Journal Article
    ​ ​Density functional calculations of extended, periodic systems using Coulomb corrected molecular fractionation with conjugated caps method (CC-MFCC)​
    Brinkmann, L.; Heifets, E. & Kantorovich, L.​ (2014) 
    Physical Chemistry, Chemical Physics, 16(39) pp. 21252​-21270​.​ DOI: https://doi.org/10.1039/C3CP55119A 
    ​Details  DOI 
  • 2014 | Journal Article
    ​ ​Multi-responsive cellulose nanocrystal–rhodamine conjugates: an advanced structure study by solid-state dynamic nuclear polarization (DNP) NMR​
    Liu, Z.; Li, W. ; Plog, A.; Xu, Y.; Buntkowsky, G.; Gutmann, T. & Zhang, K. ​ (2014) 
    Physical Chemistry, Chemical Physics, 16(47).​ DOI: https://doi.org/10.1039/c4cp04096a 
    ​Details  DOI 
  • 2014 | Journal Article | 
    ​ ​High DNP efficiency of TEMPONE radicals in liquid toluene at low concentrations​
    Enkin, N.; Liu, G.; Tkach, I. & Bennati, M. ​ (2014) 
    Physical Chemistry, Chemical Physics, 16(19) pp. 8795​-8800​.​ DOI: https://doi.org/10.1039/C4CP00854E 
    ​Details  DOI 
  • 2014 | Journal Article | 
    ​ ​SERS spectroscopic evidence for the integrity of surface-deposited self-assembled coordination cages​
    Frank, M.; Funke, S.; Wackerbarth, H. & Clever, G. H.​ (2014) 
    Physical Chemistry Chemical Physics, 16(40) pp. 21930​-21935​.​ DOI: https://doi.org/10.1039/c4cp02188f 
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  • 2014 | Journal Article
    ​ ​Vibrational spectra and structures of neutral Si6X clusters (X = Be, B, C, N, O)​
    Nguyen Xuan Truong, N. X. T.; Savoca, M.; Harding, D. J.; Fielicke, A. & Dopfer, O.​ (2014) 
    Physical Chemistry Chemical Physics, 16(40) pp. 22364​-22372​.​ DOI: https://doi.org/10.1039/c4cp03414g 
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  • 2014 | Journal Article
    ​ ​Shock wave and modeling study of the thermal decomposition reactions of pentafluoroethane and 2-H-heptafluoropropane​
    Cobos, C. J.; Soelter, L.; Tellbach, E. & Troe, J.​ (2014) 
    Physical Chemistry Chemical Physics, 16(21) pp. 9797​-9807​.​ DOI: https://doi.org/10.1039/c3cp54274b 
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  • 2014 | Journal Article | 
    ​ ​Enhanced sensitivity of electron-nuclear double resonance (ENDOR) by cross polarisation and relaxation​
    Rizzato, R. & Bennati, M. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(17) pp. 7681​-7685​.​ DOI: https://doi.org/10.1039/c3cp55395g 
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  • 2014 | Journal Article | Research Paper
    ​ ​Voltage-dependent structural changes of the membrane-bound anion channel hVDAC1 probed by SEIRA and electrochemical impedance spectroscopy​
    Kozuch, J.; Weichbrodt, C. ; Millo, D.; Giller, K. ; Becker, S. ; Hildebrandt, P.   & Steinem, C. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(20) pp. 9546​-9555​.​ DOI: https://doi.org/10.1039/c4cp00167b 
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  • 2014 | Journal Article | 
    ​ ​A size resolved investigation of large water clusters​
    Buck, U.; Pradzynski, C. C.; Zeuch, T.; Dieterich, J. M. & Hartke, B.​ (2014) 
    Physical Chemistry Chemical Physics, 16(15) pp. 6859​-6871​.​ DOI: https://doi.org/10.1039/c3cp55185g 
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  • 2014 | Journal Article | 
    ​ ​The Raman spectrum of isolated water clusters​
    Otto, K. E.; Xue, Z.; Zielke, P. & Suhm, M. A. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(21) pp. 9849​-9858​.​ DOI: https://doi.org/10.1039/c3cp54272f 
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  • 2014 | Journal Article | 
    ​ ​Infrared detection of (H2O)(20) isomers of exceptional stability: a drop-like and a face-sharing pentagonal prism cluster​
    Pradzynski, C. C.; Dierking, C. W.; Zurheide, F.; Forck, R. M.; Buck, U.; Zeuch, T. & Xantheas, S. S.​ (2014) 
    Physical Chemistry Chemical Physics, 16(48) pp. 26691​-26696​.​ DOI: https://doi.org/10.1039/c4cp03642e 
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  • 2014 | Journal Article | 
    ​ ​Alcohol dimers - how much diagonal OH anharmonicity?​
    Kollipost, F.; Papendorf, K.; Lee, Y.-F.; Lee, Y.-P. & Suhm, M. A. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(30) pp. 15948​-15956​.​ DOI: https://doi.org/10.1039/c4cp01418a 
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  • 2014 | Journal Article | Research Paper
    ​ ​Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy​
    Voehringer-Martinez, E.; Link, O. ; Lugovoy, E.; Siefermann, K. R.; Wiederschein, F. ; Grubmüller, H.   & Abel, B. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(36) pp. 19365​-19375​.​ DOI: https://doi.org/10.1039/c4cp02063d 
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  • 2014 | Journal Article | 
    ​ ​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​
    Golibrzuch, K.; Shirhatti, P. R.; Rahinov, I.; Auerbach, D. J.; Wodtke, A. M. & Bartels, C.​ (2014) 
    Physical Chemistry Chemical Physics, 16(16) pp. 7602​-7610​.​ DOI: https://doi.org/10.1039/c3cp55224a 
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  • 2013 | Journal Article
    ​ ​Photoinduced ultrafast dynamics of the triphenylamine-based organic sensitizer D35 on TiO2, ZrO2 and in acetonitrile​
    Oum, K.; Lohse, P. W.; Klein, J. R.; Flender, O.; Scholz, M.; Hagfeldt, A. & Boschloo, G. et al.​ (2013) 
    Physical Chemistry, Chemical Physics, 15(11) pp. 3906​-3916​.​ DOI: https://doi.org/10.1039/c3cp44095h 
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  • 2013 | Journal Article
    ​ ​Ultrafast photoinduced dynamics of the 3,6-diaminoacridinium derivative ATTO 465 in solution​
    Arden-Jacob, J.; Drexhage, K.-H.; Druzhinin, S. I.; Ekimova, M.; Flender, O.; Lenzer, T. & Oum, K. et al.​ (2013) 
    Physical Chemistry, Chemical Physics, 15(6) pp. 1844​-1853​.​ DOI: https://doi.org/10.1039/C2CP43493H 
    ​Details  DOI 
  • 2013 | Journal Article | 
    ​ ​Observation of direct vibrational excitation in gas-surface collisions of CO with Au(111): a new model system for surface dynamics​
    Schaefer, T.; Bartels, N.; Golibrzuch, K.; Bartels, C.; Koeckert, H.; Auerbach, D. J. & Kitsopoulos, T. N.  et al.​ (2013) 
    Physical Chemistry Chemical Physics, 15(6) pp. 1863​-1867​.​ DOI: https://doi.org/10.1039/c2cp43351f 
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  • 2013 | Journal Article | 
    ​ ​Vibrational enhancement of electron emission in CO (a(3)Pi) quenching at a clean metal surface​
    Graetz, F.; Engelhart, D. P.; Wagner, R. J. V.; Haak, H.; Meijer, G.; Wodtke, A. M. & Schaefer, T.​ (2013) 
    Physical Chemistry Chemical Physics, 15(36) pp. 14951​-14955​.​ DOI: https://doi.org/10.1039/c3cp52468j 
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  • 2013 | Journal Article | 
    ​ ​Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (+/-)-1-indanol clusters​
    Altnoeder, J.; Bouchet, A.; Lee, J. J.; Otto, K. E.; Suhm, M. A.   & Zehnacker-Rentien, A.​ (2013) 
    Physical Chemistry Chemical Physics, 15(25) pp. 10167​-10180​.​ DOI: https://doi.org/10.1039/c3cp50708d 
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  • 2013 | Journal Article | 
    ​ ​Femtisecond single-mole infrared spectroscopy of molecular clusters​
    Suhm, M. A.   & Kollipost, F.​ (2013) 
    Physical Chemistry Chemical Physics, 15(26) pp. 10702​-10721​.​ DOI: https://doi.org/10.1039/c3cp51515j 
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  • 2013 | Journal Article | 
    ​ ​Ultra-slow dynamics in low density amorphous ice revealed by deuteron NMR: indication of a glass transition​
    Loew, F.; Amann-Winkel, K.; Loerting, T.; Fujara, F. & Geil, B. ​ (2013) 
    Physical Chemistry Chemical Physics, 15(23) pp. 9308​-9314​.​ DOI: https://doi.org/10.1039/c3cp50818h 
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  • 2013 | Journal Article | 
    ​ ​Small-angle water reorientations in KOH doped hexagonal ice and clathrate hydrates​
    Nelson, H.; Schildmann, S.; Nowaczyk, A.; Gainaru, C.; Geil, B.   & Boehmer, R.​ (2013) 
    Physical Chemistry Chemical Physics, 15(17) pp. 6355​-6367​.​ DOI: https://doi.org/10.1039/c3cp00139c 
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  • 2013 | Journal Article | 
    ​ ​Limits of metastability in amorphous ices: H-2-NMR relaxation​
    Loew, F.; Amann-Winkel, K.; Geil, B. ; Loerting, T.; Wittich, C. & Fujara, F.​ (2013) 
    Physical Chemistry Chemical Physics, 15(2) pp. 576​-580​.​ DOI: https://doi.org/10.1039/c2cp43543h 
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  • 2013 | Journal Article | 
    ​ ​From hydrogen bond donor to acceptor: the effect of ethanol fluorination on the first solvating water molecule​
    Heger, M.; Scharge, T. & Suhm, M. A. ​ (2013) 
    Physical Chemistry Chemical Physics, 15(38) pp. 16065​-16073​.​ DOI: https://doi.org/10.1039/c3cp53115e 
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  • 2013 | Journal Article | 
    ​ ​Rovibrational states of ClHCl- isotopologues up to high J: a joint theoretical and spectroscopic investigation​
    Sebald, P.; Oswald, R. B.; Botschwina, P. & Kawaguchi, K.​ (2013) 
    Physical Chemistry Chemical Physics, 15(18) pp. 6737​-6748​.​ DOI: https://doi.org/10.1039/c3cp44236e 
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  • 2013 | Journal Article
    ​ ​Iron cation catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics​
    Melko, J. J.; Ard, S. G.; Fournier, J. A.; Li, J.; Shuman, N. S.; Guo, H. & Troe, J. et al.​ (2013) 
    Physical Chemistry Chemical Physics, 15(27) pp. 11257​-11267​.​ DOI: https://doi.org/10.1039/c3cp50335f 
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  • 2013 | Journal Article
    ​ ​Study of ligand effects in aurophilic interactions using local correlation methods​
    Andrejic, M. & Mata, R. A. ​ (2013) 
    Physical Chemistry, Chemical Physics, 15(41) pp. 18115​-18122​.​ DOI: https://doi.org/10.1039/c3cp52931b 
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  • 2013 | Journal Article | 
    ​ ​Heteroaromaticity approached by charge density investigations and electronic structure calculations​
    Hey, J.; Leusser, D.; Kratzert, D.; Fliegl, H.; Dieterich, J. M.; Mata, R. A.   & Stalke, D. ​ (2013) 
    Physical Chemistry, Chemical Physics, 15(47) pp. 20600​-20610​.​ DOI: https://doi.org/10.1039/c3cp53756k 
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  • 2013 | Journal Article | 
    ​ ​Orientation selection in distance measurements between nitroxide spin labels at 94 GHz EPR with variable dual frequency irradiation​
    Tkach, I.; Pornsuwan, S. ; Höbartner, C. ; Wachowius, F.; Sigurdsson, S. T.; Baranova, T. Y. & Diederichsen, U.  et al.​ (2013) 
    Physical Chemistry Chemical Physics, 15(10) pp. 3433​-3437​.​ DOI: https://doi.org/10.1039/c3cp44415e 
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  • 2012 | Journal Article | 
    ​ ​Ultrafast dynamics of the indoline dye D149 on electrodeposited ZnO and sintered ZrO2 and TiO2 thin films.​
    Oum, K.; Lohse, P. W.; Flender, O.; Klein, J. R.; Scholz, M.; Lenzer, T. & Du, J. et al.​ (2012) 
    Physical Chemistry, Chemical Physics, 14(44) pp. 15429​-15437​.​ DOI: https://doi.org/10.1039/c2cp42961f 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article
    ​ ​Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid--a combined crystallographic and spectroscopic study​
    Moré, R.; Scholz, M.; Busse, G.; Busse, L.; Paulmann, C.; Tolkiehn, M. & Techert, S. ​ (2012) 
    Physical Chemistry, Chemical Physics, 14(29) pp. 10187​-10195​.​ DOI: https://doi.org/10.1039/c2cp40216e 
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  • 2012 | Journal Article | Research Paper
    ​ ​Exploring the thermodynamic derivatives of the structure factor of dense protein solutions​
    Schroer, M. A.; Tolan, M.   & Winter, R.​ (2012) 
    Physical Chemistry, Chemical Physics, 14(26) pp. 9486​-9491​.​ DOI: https://doi.org/10.1039/c2cp41041a 
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  • 2012 | Journal Article
    ​ ​Length effects in VUV photofragmentation of protonated peptides​
    González-Magaña, O.; Reitsma, G.; Bari, S.; Hoekstra, R. & Schlathölter, T.​ (2012) 
    Physical Chemistry, Chemical Physics, 14(13) pp. 4351​-4354​.​ DOI: https://doi.org/10.1039/c2cp23470j 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article
    ​ ​Overhauser DNP with 15 N labelled Frémy's salt at 0.35 Tesla​
    Türke, M.-T.; Parigi, G.; Luchinat, C. & Bennati, M. ​ (2012) 
    Physical Chemistry, Chemical Physics, 14(2) pp. 502​-510​.​ DOI: https://doi.org/10.1039/C1CP22332A 
    ​Details  DOI 
  • 2012 | Journal Article | 
    ​ ​Solute-solvent interactions in cryosolutions: a study of halothane-ammonia complexes​
    Michielsen, B.; Dom, J. J. J.; van der Veken, B. J.; Hesse, S.; Suhm, M. A.   & Herrebout, W. A.​ (2012) 
    Physical Chemistry Chemical Physics, 14(18) pp. 6469​-6478​.​ DOI: https://doi.org/10.1039/c2cp40379j 
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  • 2012 | Journal Article | 
    ​ ​Sulfur dioxide oxidation induced mechanistic branching and particle formation during the ozonolysis of beta-pinene and 2-butene​
    Carlsson, P. T. M.; Keunecke, C.; Krueger, B. C. ; Maass, M. C.   & Zeuch, T.​ (2012) 
    Physical Chemistry Chemical Physics, 14(45) pp. 15637​-15640​.​ DOI: https://doi.org/10.1039/c2cp42992f 
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  • 2012 | Journal Article
    ​ ​Photoinduced electron transfer in covalent ruthenium-anthraquinone dyads: relative importance of driving-force, solvent polarity, and donor-bridge energy gap​
    Hankache, J. & Wenger, O. S.​ (2012) 
    Physical Chemistry Chemical Physics, 14(8) pp. 2685​-2692​.​ DOI: https://doi.org/10.1039/c2cp23240e 
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  • 2012 | Journal Article | 
    ​ ​Vibrational energy relaxation of the ND-stretching vibration of NH2D in liquid NH3​
    Schaefer, T.; Kandratsenka, A.; Voehringer, P.; Schroeder, J. & Schwarzer, D.​ (2012) 
    Physical Chemistry Chemical Physics, 14(33) pp. 11651​-11656​.​ DOI: https://doi.org/10.1039/c2cp41382e 
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  • 2012 | Journal Article
    ​ ​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​
    Forck, R. M.; Pradzynski, C. C.; Wolff, S.; Oncak, M.; Slavicek, P. & Zeuch, T.​ (2012) 
    Physical Chemistry Chemical Physics, 14(9) pp. 3004​-3016​.​ DOI: https://doi.org/10.1039/c2cp23301k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Differential reaction cross sections from rotationally resolved quantum scattering calculations: application to gas-phase S(N)2 reactions​
    Hennig, C. & Schmatz, S.​ (2012) 
    Physical Chemistry Chemical Physics, 14(37) pp. 12982​-12991​.​ DOI: https://doi.org/10.1039/c2cp41141e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Dielectric relaxation and ultrafast transient absorption spectroscopy of [C(6)mim](+)[Tf2N](-)/acetonitrile mixtures​
    Lohse, P. W.; Bartels, N.; Stoppa, A.; Buchner, R.; Lenzer, T. & Oum, K.​ (2012) 
    Physical Chemistry Chemical Physics, 14(10) pp. 3596​-3603​.​ DOI: https://doi.org/10.1039/c2cp23704k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Membrane lateral structure: the influence of immobilized particles on domain size​
    Fischer, T.; Risselada, H. J. & Vink, R. L. C.​ (2012) 
    Physical Chemistry Chemical Physics, 14(42) pp. 14500​-14508​.​ DOI: https://doi.org/10.1039/c2cp41417a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​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​
    Carlsson, P. T. M.; Dege, J. E.; Keunecke, C.; Krueger, B. C.; Wolf, J. L. & Zeuch, T.​ (2012) 
    Physical Chemistry Chemical Physics, 14(33) pp. 11695​-11705​.​ DOI: https://doi.org/10.1039/c2cp40714k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article
    ​ ​A push-and-pull model for allosteric anion binding in cage complexes​
    Dieterich, J. M.; Clever, G. H.   & Mata, R. A. ​ (2012) 
    Physical Chemistry Chemical Physics, 14(37) pp. 12746​-12749​.​ DOI: https://doi.org/10.1039/c2cp41793f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Limits of metastability in amorphous ices: the neutron scattering Debye-Waller factor​
    Amann-Winkel, K.; Loew, F.; Handle, P. H.; Knoll, W.; Peters, J.; Geil, B.   & Fujara, F. et al.​ (2012) 
    Physical Chemistry Chemical Physics, 14(47) pp. 16386​-16391​.​ DOI: https://doi.org/10.1039/c2cp42797d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article
    ​ ​Structural diversity in sodium doped water trimers​
    Forck, R. M.; Dieterich, J. M.; Pradzynski, C. C.; Huchting, A. L.; Mata, R. A.   & Zeuch, T. ​ (2012) 
    Physical Chemistry, Chemical Physics, 14(25) pp. 9054​-9057​.​ DOI: https://doi.org/10.1039/c2cp41066d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Limitations of high-intensity soft X-ray laser fields for the characterisation of water chemistry: Coulomb explosion of the octamer water cluster​
    Debnarova, A.; Techert, S.   & Schmatz, S.​ (2012) 
    Physical Chemistry Chemical Physics, 14(27) pp. 9606​-9614​.​ DOI: https://doi.org/10.1039/c2cp40598a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | Research Paper
    ​ ​Dissolution of iron oxide nanoparticles inside polymer nanocapsules​
    Möller, J.; Cebi, M.; Schroer, M. A.; Paulus, M.; Degen, P.; Sahle, C. J. & Wieland, D. C. F. et al.​ (2011) 
    Physical Chemistry, Chemical Physics, 13(45) pp. 20354​-20360​.​ DOI: https://doi.org/10.1039/c1cp22161b 
    ​Details  DOI  PMID  PMC 
  • 2011 | Journal Article
    ​ ​Saturation factor of nitroxide radicals in liquid DNP by pulsed ELDOR experiments​
    Türke, M.-T. & Bennati, M. ​ (2011) 
    Physical Chemistry, Chemical Physics, 13(9) pp. 3630​.​ DOI: https://doi.org/10.1039/c0cp02126a 
    ​Details  DOI 
  • 2011 | Journal Article | 
    ​ ​Vibrationally promoted electron emission at a metal surface: electron kinetic energy distributions​
    LaRue, J.; Schäfer, T.; Matsiev, D.; Velarde, L.; Nahler, H. N.; Auerbach, D. J. & Wodtke, A. M.​ (2011) 
    Physical Chemistry Chemical Physics, 13 pp. 97​-99​.​ DOI: https://doi.org/10.1039/COCPO1626H 
    ​Details  DOI 
  • 2011 | Journal Article | 
    ​ ​Ultrafast excited state dynamics and spectroscopy of 13,13 '-diphenyl-beta-carotene​
    Golibrzuch, K.; Ehlers, F.; Scholz, M.; Oswald, R. B.; Lenzer, T.; Oum, K. & Kim, H. et al.​ (2011) 
    Physical Chemistry Chemical Physics, 13(13) pp. 6340​-6351​.​ DOI: https://doi.org/10.1039/c0cp02525a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article
    ​ ​Ultrafast photoinduced relaxation dynamics of the indoline dye D149 in organic solvents​
    Lohse, P. W.; Kuhnt, J.; Druzhinin, S. I.; Scholz, M.; Ekimova, M.; Oekermann, T. & Lenzer, T. et al.​ (2011) 
    Physical Chemistry Chemical Physics, 13(43) pp. 19632​-19640​.​ DOI: https://doi.org/10.1039/c1cp22429h 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Dimers of cyclic carbonates: chirality recognition in battery solvents and energy storage​
    Kollipost, F.; Hesse, S.; Lee, J. J. & Suhm, M. A. ​ (2011) 
    Physical Chemistry, Chemical Physics, 13(31) pp. 14176​-14182​.​ DOI: https://doi.org/10.1039/c1cp21460h 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Explicitly correlated coupled cluster calculations for the propargyl cation (H2C3H+) and related species​
    Botschwina, P.; Oswald, R. B. & Rauhut, G.​ (2011) 
    Physical Chemistry Chemical Physics, 13(17) pp. 7921​-7929​.​ DOI: https://doi.org/10.1039/c1cp20206e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​On the temperature dependence of electronically non-adiabatic vibrational energy transfer in molecule-surface collisions​
    Matsiev, D.; Li, Z.; Cooper, R.; Rahinov, I.; Bartels, C.; Auerbach, D. J. & Wodtke, A. M.​ (2011) 
    Physical Chemistry Chemical Physics, 13(18) pp. 8153​-8162​.​ DOI: https://doi.org/10.1039/c0cp01418d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Quantifying the breakdown of the Born-Oppenheimer approximation in surface chemistry​
    Rahinov, I.; Cooper, R.; Matsiev, D.; Bartels, C.; Auerbach, D. J. & Wodtke, A. M.​ (2011) 
    Physical Chemistry Chemical Physics, 13(28) pp. 12680​-12692​.​ DOI: https://doi.org/10.1039/c1cp20356h 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​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)​
    Botschwina, P.; Oswald, R. B. & Dopfer, O.​ (2011) 
    Physical Chemistry Chemical Physics, 13(31) pp. 14163​-14175​.​ DOI: https://doi.org/10.1039/c1cp20815b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​On the weakly C-H center dot center dot center dot pi hydrogen bonded complexes of sevoflurane and benzene​
    Dom, J. J. J.; van der Veken, B. J.; Michielsen, B.; Jacobs, S.; Xue, Z.; Hesse, S. & Loritz, H.-M. et al.​ (2011) 
    Physical Chemistry, Chemical Physics, 13(31) pp. 14142​-14152​.​ DOI: https://doi.org/10.1039/c1cp20693a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | Letter Note
    ​ ​Weak hydrogen bonds - strong effects?​
    Herrebout, W. A. & Suhm, M. A. ​ (2011) 
    Physical Chemistry Chemical Physics, 13(31) pp. 13858​-13859​.​ DOI: https://doi.org/10.1039/c1cp90110a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Polymer-solid contacts described by soft, coarse-grained models​
    Mueller, M.; Steinmueller, B.; Daoulas, K. C.; Ramirez-Hernandez, A. & de Pablo, J. J.​ (2011) 
    Physical Chemistry Chemical Physics, 13(22) pp. 10491​-10502​.​ DOI: https://doi.org/10.1039/c0cp02868a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​A combined Raman- and infrared jet study of mixed methanol-water and ethanol-water clusters​
    Nedic, M.; Wassermann, T. N.; Larsen, R. W. & Suhm, M. A. ​ (2011) 
    Physical Chemistry, Chemical Physics, 13(31) pp. 14050​-14063​.​ DOI: https://doi.org/10.1039/c1cp20182d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Temperature-dependent intensity anomalies in amino acid esters: weak hydrogen bonds in protected glycine, alanine and valine​
    Otto, K. E.; Hesse, S.; Wassermann, T. N.; Rice, C. A.; Suhm, M. A. ; Stafforst, T. & Diederichsen, U. ​ (2011) 
    Physical Chemistry Chemical Physics, 13(31) pp. 14119​-14130​.​ DOI: https://doi.org/10.1039/c1cp20883g 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Pressure dependent mechanistic branching in the formation pathways of secondary organic aerosol from cyclic-alkene gas-phase ozonolysis​
    Wolf, J. L.; Richters, S.; Pecher, J. & Zeuch, T.​ (2011) 
    Physical Chemistry Chemical Physics, 13(23) pp. 10952​-10964​.​ DOI: https://doi.org/10.1039/c0cp02499f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | Letter Note | 
    ​ ​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​
    Suhm, M. A.   & Albrecht, M.​ (2011) 
    Physical Chemistry Chemical Physics, 13(9) pp. 4159​-4160​.​ DOI: https://doi.org/10.1039/c0cp02455d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article | Research Paper
    ​ ​Probing adsorption and aggregation of insulin at a poly(acrylic acid) brush​
    Evers, F.; Reichhart, C.; Steitz, R.; Tolan, M.   & Czeslik, C.​ (2010) 
    Physical Chemistry, Chemical Physics, 12(17) pp. 4375​-4382​.​ DOI: https://doi.org/10.1039/b925134k 
    ​Details  DOI  PMID  PMC 
  • 2010 | Journal Article
    ​ ​Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporin​
    Aponte-Santamaría, C.; Hub, J. S.   & de Groot, B. L. ​ (2010) 
    Physical Chemistry, Chemical Physics, 12(35) pp. 10246​.​ DOI: https://doi.org/10.1039/c004384m 
    ​Details  DOI 
  • 2010 | Journal Article
    ​ ​Water 1H relaxation dispersion analysis on a nitroxide radical provides information on the maximal signal enhancement in Overhauser dynamic nuclear polarization experiments​
    Bennati, M. ; Luchinat, C.; Parigi, G. & Türke, M.-T.​ (2010) 
    Physical Chemistry, Chemical Physics, 12(22) pp. 5902​.​ DOI: https://doi.org/10.1039/c002304n 
    ​Details  DOI 
  • 2010 | Journal Article
    ​ ​The benefits of alternation and alkylation: large amplitude hydrogen bond librational modes of alcohol trimers and tetramers​
    Larsen, R. W. & Suhm, M. A. ​ (2010) 
    Physical Chemistry Chemical Physics, 12(29) pp. 8152​-8157​.​ DOI: https://doi.org/10.1039/b925578h 
    ​Details  DOI  WoS 
  • 2010 | Journal Article
    ​ ​Dynamic saturation optical microscopy: employing dark-state formation kinetics for resolution enhancement​
    Humpolíčková, J.; Benda, A.; Macháň, R.; Enderlein, J.   & Hof, M.​ (2010) 
    Physical Chemistry Chemical Physics, 12(39) pp. 12457​-12465​.​ DOI: https://doi.org/10.1039/c0cp00059k 
    ​Details  DOI 
  • 2010 | Journal Article
    ​ ​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​
    Türke, M.-T.; Tkach, I.; Reese, M.; Höfer, P. & Bennati, M. ​ (2010) 
    Physical Chemistry, Chemical Physics, 12(22) pp. 5893​.​ DOI: https://doi.org/10.1039/c002814m 
    ​Details  DOI 
  • 2010 | Journal Article | Letter Note
    ​ ​Chemical dynamics of large amplitude motion​
    Nesbitt, D. J. & Suhm, M. A. ​ (2010) 
    Physical Chemistry Chemical Physics, 12(29).​ DOI: https://doi.org/10.1039/c0cp90051f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Rate coefficients for cycloalkyl plus O reactions and product branching in the decomposition of chemically activated cycloalkoxy radicals: an experimental and theoretical study​
    Hoyermann, K.; Maarfeld, S.; Nacke, F.; Nothdurft, J.; Olzmann, M.; Wehmeyer, J. & Welz, O. et al.​ (2010) 
    Physical Chemistry Chemical Physics, 12(31) pp. 8954​-8968​.​ DOI: https://doi.org/10.1039/b925920a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​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​
    Luettschwager, N. O. B. ; Wassermann, T. N.; Coussan, S. & Suhm, M. A. ​ (2010) 
    Physical Chemistry, Chemical Physics, 12(29) pp. 8201​-8207​.​ DOI: https://doi.org/10.1039/c002345k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Assignment of carotene S state features to the vibrationally hot ground electronic state​
    Lenzer, T.; Ehlers, F.; Scholz, M.; Oswald, R. B. & Oum, K.​ (2010) 
    Physical Chemistry Chemical Physics, 12(31) pp. 8832​-8839​.​ DOI: https://doi.org/10.1039/b925071a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​New insights into the photodynamics of acetylacetone: isomerization and fragmentation in low-temperature matrixes​
    Trivella, A.; Wassermann, T. N.; Mestdagh, J. M.; Tanner, C. M.; Marinelli, F.; Roubin, P. & Coussan, S.​ (2010) 
    Physical Chemistry Chemical Physics, 12(29) pp. 8300​-8310​.​ DOI: https://doi.org/10.1039/c003593a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​The complexes of halothane with benzene: the temperature dependent direction of the complexation shift of the aliphatic C-H stretching​
    Michielsen, B.; Dom, J. J. J.; van der Veken, B. J.; Hesse, S.; Xue, Z.; Suhm, M. A.   & Herrebout, W. A.​ (2010) 
    Physical Chemistry, Chemical Physics, 12(42) pp. 14034​-14044​.​ DOI: https://doi.org/10.1039/c0cp00771d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article | Research Paper
    ​ ​Shuttle DNP spectrometer with a two-center magnet​
    Krahn, A.; Lottmann, P.; Marquardsen, T.; Tavernier, A.; Tuerke, M.-T.; Reese, M. & Leonov, A.  et al.​ (2010) 
    Physical Chemistry Chemical Physics, 12(22) pp. 5830​-5840​.​ DOI: https://doi.org/10.1039/c003381b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Electron capture by finite-size polarizable molecules and clusters​
    Nikitin, E. E. & Troe, J.​ (2010) 
    Physical Chemistry Chemical Physics, 12(31) pp. 9012​-9017​.​ DOI: https://doi.org/10.1039/c001519a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Application of high level wavefunction methods in quantum mechanics/molecular mechanics hybrid schemes​
    Mata, R. A. ​ (2010) 
    Physical Chemistry, Chemical Physics, 12(19) pp. 5041​-5052​.​ DOI: https://doi.org/10.1039/b918608e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2010 | Journal Article
    ​ ​Quantum-chemical study and FTIR jet spectroscopy of CHCl3-NH3 association in the gas phase​
    Hippler, M.; Hesse, S. & Suhm, M. A. ​ (2010) 
    Physical Chemistry Chemical Physics, 12(41) pp. 13555​-13565​.​ DOI: https://doi.org/10.1039/c0cp00530d 
    ​Details  DOI  PMID  PMC  WoS 

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