Physical Chemistry, Chemical Physics

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  • 2024 | Journal Article
    ​ ​Water dynamics in eutectic solutions of sodium chloride and magnesium sulfate: implications for life in Europa's subsurface ocean and ice shell​
    Sieme, D. & Rezaei-Ghaleh, N.​ (2024) 
    Physical Chemistry Chemical Physics, 26(1) pp. 105​-115​.​ DOI: https://doi.org/10.1039/D3CP03455K 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Hydrogen atom scattering at the Al 2 O 3 (0001) surface: a combined experimental and theoretical study​
    Liebetrau, M.; Dorenkamp, Y.; Bünermann, O. & Behler, J.​ (2024) 
    Physical Chemistry Chemical Physics, 26(3) pp. 1696​-1708​.​ DOI: https://doi.org/10.1039/D3CP04729F 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Benchmarking the anisotropy of nitroxyl radical solvation with IR spectroscopy​
    Brás, E. M.; Zimmermann, C.; Fausto, R. & Suhm, M. A.​ (2024) 
    Physical Chemistry Chemical Physics, 26(7) pp. 5822​-5829​.​ DOI: https://doi.org/10.1039/D3CP05668F 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Weak hydrogen bonding to halogens and chirality communication in propanols: Raman and microwave spectroscopy benchmark theory​
    Hartwig, B.; Schnell, M.; Suhm, M. A. & Obenchain, D. A.​ (2024) 
    Physical Chemistry Chemical Physics, 26(12) pp. 9432​-9452​.​ DOI: https://doi.org/10.1039/D3CP04911F 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​The strength of the OH-bend/OH-stretch Fermi resonance in small water clusters​
    Lüttschwager, N. O. B.​ (2024) 
    Physical Chemistry Chemical Physics, 26(13) pp. 10120​-10135​.​ DOI: https://doi.org/10.1039/D3CP06255D 
    ​Details  DOI 
  • 2024 | Journal Article
    ​ ​Homochiral vs. heterochiral preference in chiral self-recognition of cyclic diols​
    Dupont, J.; Hartwig, B.; Le Barbu-Debus, K.; Lepere, V.; Guillot, R.; Suhm, M. A. & Zehnacker, A.​ (2024) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D4CP00351A 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​The first HyDRA challenge for computational vibrational spectroscopy​
    Fischer, T. L.; Bödecker, M.; Schweer, S. M.; Dupont, J.; Lepère, V.; Zehnacker-Rentien, A. & Suhm, M. A. et al.​ (2023) 
    Physical Chemistry, Chemical Physics, 25(33) pp. 22089​-22102​.​ DOI: https://doi.org/10.1039/D3CP01216F 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Revisiting the origin of the bending in group 2 metallocenes AeCp 2 (Ae = Be–Ba)​
    Sergeieva, T.; Demirer, T. I.; Wuttke, A.; Mata, R. A.; Schäfer, A.; Linker, G.-J. & Andrada, D. M.​ (2023) 
    Physical Chemistry, Chemical Physics, 25(30) pp. 20657​-20667​.​ DOI: https://doi.org/10.1039/D2CP05020J 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Benchmark experiments for numerical quantum chemistry​
    Mata, R. A.; Zehnacker-Rentien, A. & Suhm, M. A.​ (2023) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D3CP90186F 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​19 F electron nuclear double resonance (ENDOR) spectroscopy for distance measurements using trityl spin labels in DNA duplexes​
    Asanbaeva, N. B.; Novopashina, D. S.; Rogozhnikova, O. Y.; Tormyshev, V. M.; Kehl, A.; Sukhanov, A. A. & Shernyukov, A. V. et al.​ (2023) 
    Physical Chemistry, Chemical Physics, 25(35) pp. 23454​-23466​.​ DOI: https://doi.org/10.1039/D3CP02969G 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Formic acid–methanol complexation vs. esterification: elusive pre-reactive species identified by vibrational spectroscopy​
    Schweer, S. M.; Gawrilow, M.; Nejad, A. & Suhm, M. A.​ (2023) 
    Physical Chemistry Chemical Physics, 25(43) pp. 29982​-29992​.​ DOI: https://doi.org/10.1039/D3CP04705A 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​2,2,3,3,3-Pentafluoro-1-propanol and its dimer: structural diversity, conformational conversion, and tunnelling motion​
    Wu, B.; Seifert, N. A.; Insausti, A.; Ma, J.; Oswald, S.; Jäger, W. & Xu, Y.​ (2022) 
    Physical Chemistry Chemical Physics, 24(24) pp. 14975​-14984​.​ DOI: https://doi.org/10.1039/D2CP01895K 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​The many forms of alpha-methoxy phenylacetic acid in the gas phase: flexibility, internal dynamics, and their intramolecular interactions​
    Singh, H.; Pinacho, P.; Obenchain, D. A.; Quesada-Moreno, M. M. & Schnell, M.​ (2022) 
    Physical Chemistry Chemical Physics, 24(44) pp. 27312​-27320​.​ DOI: https://doi.org/10.1039/D2CP03962A 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Cu 2+ -Induced self-assembly and amyloid formation of a cyclic d , l -α-peptide: structure and function​
    Klose, D.; Vemulapalli, S. P. B.; Richman, M.; Rudnick, S.; Aisha, V.; Abayev, M. & Chemerovski, M. et al.​ (2022) 
    Physical Chemistry Chemical Physics, 24(11) pp. 6699​-6715​.​ DOI: https://doi.org/10.1039/D1CP05415E 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​The L–G phase transition in binary Cu–Zr metallic liquids​
    An, Q.; Johnson, W. L.; Samwer, K.; Corona, S. L.; Shen, Y. & Goddard, W. A.​ (2022) 
    Physical Chemistry Chemical Physics, 24(1) pp. 497​-506​.​ DOI: https://doi.org/10.1039/D1CP04157F 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter​
    Zhang, Y.; Box, C. L.; Schäfer, T.; Kandratsenka, A.; Wodtke, A. M. ; Maurer, R. J. & Jiang, B.​ (2022) 
    Physical Chemistry Chemical Physics, 24(33) pp. 19753​-19760​.​ DOI: https://doi.org/10.1039/D2CP03312G 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Competitive tetrel bond and hydrogen bond in benzaldehyde–CO 2 : characterization via rotational spectroscopy​
    Wang, H.; Wang, X.; Tian, X.; Cheng, W.; Zheng, Y.; Obenchain, D. A. & Xu, X. et al.​ (2021) 
    Physical Chemistry Chemical Physics, 23(45) pp. 25784​-25788​.​ DOI: https://doi.org/10.1039/D1CP03608D 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Shock wave and modelling study of the dissociation kinetics of C 2 F 5 I​
    Cobos, C. J.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2021) 
    Physical Chemistry Chemical Physics, 23(7) pp. 4394​-4403​.​ DOI: https://doi.org/10.1039/d0cp06414a 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Spin density localization and accessibility of organic radicals affect liquid-state DNP efficiency​
    Levien, M.; Reinhard, M.; Hiller, M.; Tkach, I.; Bennati, M.   & Orlando, T.​ (2021) 
    Physical Chemistry Chemical Physics, 23(8) pp. 4480​-4485​.​ DOI: https://doi.org/10.1039/d0cp05796g 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Impurity-induced nematic–isotropic transition of liquid crystals​
    Jana, P. K.; Lam, J.; Mangal, R.; Alava, M. J.; Parveen, N. & Laurson, L.​ (2021) 
    Physical Chemistry Chemical Physics, 23(14) pp. 8825​-8835​.​ DOI: https://doi.org/10.1039/D0CP06577C 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Dispersion forces in chirality recognition – a density functional and wave function theory study of diols​
    Aniban, X.; Hartwig, B.; Wuttke, A. & Mata, R. A.​ (2021) 
    Physical Chemistry Chemical Physics, 23(21) pp. 12093​-12104​.​ DOI: https://doi.org/10.1039/D1CP01225H 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​XeOCS: relatively straightforward?​
    Kraus, P.; Obenchain, D. A. ; Herbers, S.; Wachsmuth, D.; Frank, I. & Grabow, J.-U.​ (2020) 
    Physical Chemistry, Chemical Physics, 22(10) pp. 5615​-5624​.​ DOI: https://doi.org/10.1039/d0cp00334d 
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  • 2020 | Journal Article | Erratum
    ​ ​Correction: A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry​
    Li, J.; Song, K. & Behler, J. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(47) pp. 27914​-27915​.​ DOI: https://doi.org/10.1039/d0cp90265a 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​On the separability of large-amplitude motions in anharmonic frequency calculations​
    Nejad, A. & Crittenden, D. L.​ (2020) 
    Physical Chemistry Chemical Physics, 22(36) pp. 20588​-20601​.​ DOI: https://doi.org/10.1039/d0cp03515g 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Understanding benzyl alcohol aggregation by chiral modification: the pairing step​
    Medel, R. & Suhm, M. A. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(44) pp. 25538​-25551​.​ DOI: https://doi.org/10.1039/d0cp04825a 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​The puzzling hyper-fine structure and an accurate equilibrium geometry of succinic anhydride​
    Jahn, M. K.; Obenchain, D. A. ; Nair, K. P. R.; Grabow, J.-U.; Vogt, N.; Demaison, J. & Godfrey, P. D. et al.​ (2020) 
    Physical Chemistry, Chemical Physics, 22(9) pp. 5170​-5177​.​ DOI: https://doi.org/10.1039/C9CP06775B 
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  • 2020 | Journal Article
    ​ ​Phase separation in pore-spanning membranes induced by differences in surface adhesion​
    Sibold, J. ; Tewaag, V. E.; Vagedes, T.; Mey, I.   & Steinem, C. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(17) pp. 9308​-9315​.​ DOI: https://doi.org/10.1039/d0cp00335b 
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  • 2020 | Journal Article
    ​ ​High-resolution resonance-enhanced multiphoton photoelectron circular dichroism​
    Kastner, A.; Koumarianou, G.; Glodic, P.; Samartzis, P. C.; Ladda, N.; Ranecky, S. T. & Ring, T. et al.​ (2020) 
    Physical Chemistry Chemical Physics, 22(14) pp. 7404​-7411​.​ DOI: https://doi.org/10.1039/d0cp00470g 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Shifting formic acid dimers into perspective: vibrational scrutiny in helium nanodroplets​
    Meyer, K. A. E. ; Davies, J. A. & Ellis, A. M.​ (2020) 
    Physical Chemistry Chemical Physics, 22(17) pp. 9637​-9646​.​ DOI: https://doi.org/10.1039/d0cp01060j 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Increasing the weights in the molecular work-out of cis - and trans -formic acid: extension of the vibrational database via deuteration​
    Nejad, A.; Suhm, M. A.   & Meyer, K. A. E. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(44) pp. 25492​-25501​.​ DOI: https://doi.org/10.1039/d0cp04451b 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111)​
    Galparsoro, O.; Kaufmann, S.; Auerbach, D. J.; Kandratsenka, A. & Wodtke, A. M. ​ (2020) 
    Physical Chemistry Chemical Physics, 22(31) pp. 17532​-17539​.​ DOI: https://doi.org/10.1039/d0cp02858d 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions​
    Shao, Y.; Hellström, M.; Yllö, A.; Mindemark, J.; Hermansson, K.; Behler, J.   & Zhang, C.​ (2020) 
    Physical Chemistry Chemical Physics, 22(19) pp. 10426​-10430​.​ DOI: https://doi.org/10.1039/c9cp06479f 
    ​Details  DOI 
  • 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 
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  • 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
    ​ ​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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  • 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 
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  • 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 
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  • 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 
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  • 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
    ​ ​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
    ​ ​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
    ​ ​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
    ​ ​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 
    ​Details  DOI  PMID  PMC  WoS 
  • 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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  • 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
    ​ ​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 
    ​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 
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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
    ​ ​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 
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  • 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 
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  • 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 
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  • 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 
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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 | 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 | 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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  • 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 
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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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  • 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 
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  • 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 
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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
    ​ ​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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 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 
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  • 2009 | Journal Article
    ​ ​Coarse-graining dipolar interactions in simple fluids and polymer solutions: Monte Carlo studies of the phase behavior​
    Mognetti, B. M.; Virnau, P.; Yelash, L.; Paul, W.; Binder, K.; Mueller, M. & MacDowell, L. G.​ (2009) 
    Physical Chemistry Chemical Physics, 11(12) pp. 1923​-1933​.​ DOI: https://doi.org/10.1039/b818020m 
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  • 2009 | Journal Article
    ​ ​Cavitation activation by dual-frequency ultrasound and shock waves​
    Brotchie, A.; Mettin, R. ; Grieser, F. & Ashokkumar, M.​ (2009) 
    Physical Chemistry Chemical Physics, 11(43) pp. 10029​-10034​.​ DOI: https://doi.org/10.1039/b912725a 
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  • 2009 | Journal Article
    ​ ​On the low volatility of cyclic esters: an infrared spectroscopy comparison between dimers of gamma-butyrolactone and methyl propionate​
    Hesse, S. & Suhm, M. A. ​ (2009) 
    Physical Chemistry, Chemical Physics, 11(47) pp. 11157​-11170​.​ DOI: https://doi.org/10.1039/b915419a 
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  • 2009 | Journal Article
    ​ ​Switching behaviour of modulated ferroelectrics I: kinetics of the field-induced lock-in transition of Rb2ZnCl4​
    Elisbihani, K.; Gibhardt, H. & Eckold, G. ​ (2009) 
    Physical Chemistry Chemical Physics, 11(17) pp. 3168​-3175​.​ DOI: https://doi.org/10.1039/b902368b 
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  • 2009 | Journal Article
    ​ ​Threshold behavior and analytical fitting of partial wave capture probabilities for attractive R-n potentials​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2009) 
    Physical Chemistry Chemical Physics, 11(41) pp. 9364​-9369​.​ DOI: https://doi.org/10.1039/b912679a 
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  • 2009 | Journal Article
    ​ ​Ultrafast intramolecular electronic energy transfer in rigidly linked aminopyrenyl-aminobenzanthronyl dyads-a femtosecond study​
    Dvorak, M.; Fidler, V.; Lohse, P. W.; Michl, M.; Oum, K.; Wagener, P. & Schroeder, J.​ (2009) 
    Physical Chemistry Chemical Physics, 11(2) pp. 317​-323​.​ DOI: https://doi.org/10.1039/b813232a 
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  • 2009 | Journal Article
    ​ ​Computing free energies of interfaces in self-assembling systems​
    Mueller, M.; Daoulas, K. C.   & Norizoe, Y.​ (2009) 
    Physical Chemistry Chemical Physics, 11(12) pp. 2087​-2097​.​ DOI: https://doi.org/10.1039/b818111j 
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  • 2009 | Journal Article
    ​ ​Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation​
    Dittrich, B.; Warren, J. E.; Fabbiani, F. P. A. ; Morgenroth, W. & Corry, B.​ (2009) 
    Physical Chemistry Chemical Physics, 11(15) pp. 2601​-2609​.​ DOI: https://doi.org/10.1039/b819157c 
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  • 2008 | Journal Article
    ​ ​Modelling low-energy electron-molecule capture processes​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2008) 
    Physical Chemistry Chemical Physics, 10(9) pp. 1270​-1276​.​ DOI: https://doi.org/10.1039/b713530k 
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  • 2008 | Journal Article
    ​ ​SACM/CT Study of the dissociation/recombination dynamics of hydrogen peroxide on an ab initio potential energy surface - Part II. Specific rate constants k(E,J), thermal rate constants k(infinity)(T), and lifetime distributions​
    Troe, J. & Ushakov, V. G.​ (2008) 
    Physical Chemistry Chemical Physics, 10(26) pp. 3915​-3924​.​ DOI: https://doi.org/10.1039/b803320j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2008 | Journal Article
    ​ ​Unravelling the ultrafast photodecomposition mechanism of dibenzoyl peroxide in solution by time-resolved IR spectroscopy​
    Reichardt, C.; Schroeder, J.; Voehringer, P. & Schwarzer, D.​ (2008) 
    Physical Chemistry Chemical Physics, 10(12) pp. 1662​-1668​.​ DOI: https://doi.org/10.1039/b718501d 
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  • 2008 | Review
    ​ ​70 years of Landau-Teller theory for collisional energy transfer. Semiclassical three-dimensional generalizations of the classical collinear model​
    Nikitin, E. E.& Troe, J.​ (2008)
    Physical Chemistry Chemical Physics, 10​(11) pp. 1483​-1501​.​
    Royal Soc Chemistry. DOI: https://doi.org/10.1039/b715095d 
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  • 2008 | Journal Article
    ​ ​The photodecomposition mechanism of tert-butyl-9-methylfluorene-9-percarboxylate: new insight from femtosecond IR spectroscopy​
    Reichardt, C.; Schroeder, J. & Schwarzer, D.​ (2008) 
    Physical Chemistry Chemical Physics, 10(34) pp. 5218​-5224​.​ DOI: https://doi.org/10.1039/b806359a 
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  • 2008 | Journal Article
    ​ ​Raman spectroscopic evidence for the most stable water/ethanol dimer and for the negative mixing energy in cold water/ethanol trimers​
    Nedic, M.; Wassermann, T. N.; Xue, Z.; Zielke, P. & Suhm, M. A. ​ (2008) 
    Physical Chemistry Chemical Physics, 10(39) pp. 5953​-5956​.​ DOI: https://doi.org/10.1039/b811154e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2008 | Journal Article
    ​ ​N-H center dot center dot center dot pi interactions in pyrroles: systematic trends from the vibrational spectroscopy of clusters​
    Dauster, I.; Rice, C. A.; Zielke, P. & Suhm, M. A. ​ (2008) 
    Physical Chemistry Chemical Physics, 10(19) pp. 2827​-2835​.​ DOI: https://doi.org/10.1039/b717823a 
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  • 2008 | Journal Article
    ​ ​Experimental and modelling study of the recombination reaction H+O(2)(+ M) -> HO(2)(+ M) between 300 and 900 K, 1.5 and 950 bar, and in the bath gases M = He, Ar, and N(2)​
    Fernandes, R. X.; Luther, K.; Troe, J. & Ushakov, V. G.​ (2008) 
    Physical Chemistry Chemical Physics, 10(29) pp. 4313​-4321​.​ DOI: https://doi.org/10.1039/b804553d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2008 | Journal Article
    ​ ​Solvent-dependent ultrafast internal conversion dynamics of n '-apo-beta-carotenoic-n '-acids (n=8, 10, 12)​
    Stalke, S.; Wild, D. A.; Lenzer, T.; Kopczynski, M.; Lohse, P. W. & Oum, K.​ (2008) 
    Physical Chemistry Chemical Physics, 10(16) pp. 2180​-2188​.​ DOI: https://doi.org/10.1039/b720037d 
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  • 2008 | Journal Article
    ​ ​Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: differences and similarities to sodium-water and sodium-ammonia​
    Dauster, I.; Suhm, M. A. ; Buck, U. & Zeuch, T.​ (2008) 
    Physical Chemistry Chemical Physics, 10(1) pp. 83​-95​.​ DOI: https://doi.org/10.1039/b711568g 
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  • 2008 | Journal Article
    ​ ​Dimer formation in nicotinamide and picolinamide in the gas and condensed phases probed by infrared spectroscopy​
    Borba, A.; Albrecht, M.; Gomez-Zavaglia, A.; Lapinski, L.; Nowak, M. J.; Suhm, M. A.   & Fausto, R.​ (2008) 
    Physical Chemistry Chemical Physics, 10(46) pp. 7010​-7021​.​ DOI: https://doi.org/10.1039/b810002k 
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  • 2007 | Journal Article | Research Paper
    ​ ​Spectroscopic probes of molecular recognition​
    Suhm, M. A. ​ (2007) 
    Physical Chemistry, Chemical Physics, 9(32) pp. 4443​-4443​.​ DOI: https://doi.org/10.1039/b711142h 
    ​Details  DOI 
  • 2007 | Journal Article
    ​ ​Low temperature capture of open shell dipolar molecules by ions: the capture of rotationally selected NO((2)Pi(1/2), j) by C+​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2007) 
    Physical Chemistry Chemical Physics, 9(13) pp. 1559​-1567​.​ DOI: https://doi.org/10.1039/b615826a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2007 | Journal Article
    ​ ​Raman jet spectroscopy of formic acid dimers: low frequency vibrational dynamics and beyond​
    Zielke, P. & Suhm, M. A. ​ (2007) 
    Physical Chemistry Chemical Physics, 9(32) pp. 4528​-4534​.​ DOI: https://doi.org/10.1039/b706094g 
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  • 2007 | Journal Article
    ​ ​A peptide co-solvent under scrutiny: self-aggregation of 2,2,2-trifluoroethanol​
    Scharge, T.; Cézard, C.; Zielke, P.; Emmeluth, C.; Suhm, M. A.   & Schuetz, A.​ (2007) 
    Physical Chemistry, Chemical Physics, 9(32) pp. 4472​-4490​.​ DOI: https://doi.org/10.1039/b705498j 
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  • 2007 | Conference Paper
    ​ ​How to make big molecules fly out of liquid water: applications, features and physics of laser assisted liquid phase dispersion mass spectrometry​
    Charvat, A. & Abel, B.​ (2007)
    Physical Chemistry Chemical Physics, 9(26) pp. 3335​-3360. ​7th Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates​, Gottingen, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b615114k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2007 | Journal Article
    ​ ​Mode-specific energy absorption by solvent molecules during CO2 vibrational cooling​
    Kandratsenka, A.; Schroeder, J.; Schwarzer, D. & Vikhrenko, V. S.​ (2007) 
    Physical Chemistry Chemical Physics, 9(14) pp. 1688​-1692​.​ DOI: https://doi.org/10.1039/b618452a 
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  • 2007 | Journal Article
    ​ ​A comprehensive and compact n-heptane oxidation model derived using chemical lumping​
    Ahmed, S. S.; Mauss, F.; Moreac, G. & Zeuch, T.​ (2007) 
    Physical Chemistry Chemical Physics, 9(9) pp. 1107​-1126​.​ DOI: https://doi.org/10.1039/b614712g 
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  • 2006 | Journal Article
    ​ ​Restoring detailed balance in the Landau–Teller probabilities for collision-induced vibrational transitions​
    Nikitin, E. E. & Troe, J.​ (2006) 
    Physical Chemistry, Chemical Physics, 8(17) pp. 2012​-2016​.​ DOI: https://doi.org/10.1039/B517843F 
    ​Details  DOI 
  • 2006 | Journal Article
    ​ ​Chiral recognition between lactic acid derivatives and an aromatic alcohol in a supersonic expansion: electronic and vibrational spectroscopy​
    Seurre, N.; Barbu-Debus, K. L.; Lahmani, F.; Zehnacker, A.; Borho, N. & Suhm, M. A. ​ (2006) 
    Physical Chemistry Chemical Physics, 8(8) pp. 1007​-1016​.​ DOI: https://doi.org/10.1039/b514091a 
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  • 2006 | Journal Article
    ​ ​Proton tunneling estimates for malonaldehyde vibrations from supersonic jet and matrix quenching experiments​
    Wassermann, T. N.; Luckhaus, D.; Coussan, S. & Suhm, M. A. ​ (2006) 
    Physical Chemistry Chemical Physics, 8(20) pp. 2344​-2348​.​ DOI: https://doi.org/10.1039/b602319n 
    ​Details  DOI  PMID  PMC  WoS 
  • 2006 | Journal Article
    ​ ​Extremely strong solvent dependence of the S-1 -> S-0 internal conversion lifetime of 12 '-apo-beta-caroten-12 '-al​
    Wild, D. A.; Winkler, K.; Stalke, S.; Oum, K. & Lenzer, T.​ (2006) 
    Physical Chemistry Chemical Physics, 8(21) pp. 2499​-2505​.​ DOI: https://doi.org/10.1039/b601669c 
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  • 2006 | Journal Article
    ​ ​Intra- vs. intermolecular hydrogen bonding: dimers of alpha-hydroxyesters with methanol​
    Borho, N.; Suhm, M. A. ; Le Barbu-Debus, K. & Zehnacker, A.​ (2006) 
    Physical Chemistry Chemical Physics, 8(38) pp. 4449​-4460​.​ DOI: https://doi.org/10.1039/b609725a 
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  • 2006 | Journal Article
    ​ ​Quantitative chirality synchronization in trifluoroethanol dimers​
    Scharge, T.; Haeber, T. & Suhm, M. A. ​ (2006) 
    Physical Chemistry Chemical Physics, 8(40) pp. 4664​-4667​.​ DOI: https://doi.org/10.1039/b609868a 
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  • 2006 | Journal Article
    ​ ​Concerted proton motion in hydrogen-bonded trimers: A spontaneous Raman scattering perspective​
    Zielke, P. & Suhm, M. A. ​ (2006) 
    Physical Chemistry Chemical Physics, 8(24) pp. 2826​-2830​.​ DOI: https://doi.org/10.1039/b605926k 
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  • 2006 | Journal Article
    ​ ​Size-selected methyl lactate clusters: fragmentation and spectroscopic fingerprints of chiral recognition​
    Farnik, M.; Weimann, M.; Steinbach, C.; Buck, U.; Borho, N.; Adler, T. B. & Suhm, M. A. ​ (2006) 
    Physical Chemistry Chemical Physics, 8(10) pp. 1148​-1158​.​ DOI: https://doi.org/10.1039/b514117f 
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  • 2006 | Journal Article
    ​ ​Pressure induced phase transitions of TTAB-micellar solutions studied by SANS and Raman spectroscopy​
    Haramagatti, C. R.; Islamov, A. K.; Gibhardt, H.; Gorski, N.; Kuklin, A. I. & Eckold, G.​ (2006) 
    Physical Chemistry Chemical Physics, 8(8) pp. 994​-1000​.​ DOI: https://doi.org/10.1039/b513588e 
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  • 2005 | Conference Paper
    ​ ​Ion-molecule kinetics at 15-700 Torr​
    Viggiano, A. A.; Fernandez, A. I. & Troe, J.​ (2005)
    Physical Chemistry Chemical Physics, 7(7) pp. 1533​-1539. , Marburg, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b417454b 
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  • 2005 | Journal Article
    ​ ​The role of the radical-complex mechanism in the ozone recombination/dissociation reaction​
    Luther, K.; Oum, K. & Troe, J.​ (2005) 
    Physical Chemistry Chemical Physics, 7(14) pp. 2764​-2770​.​ DOI: https://doi.org/10.1039/b504178c 
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  • 2005 | Journal Article
    ​ ​Ultrafast transient lens spectroscopy of various C-40 carotenoids: lycopene, beta-carotene, (3R,3 ' R)- zeaxanthin, (3R,3 ' R,6 ' R)-lutein, echinenone, canthaxanthin, and astaxanthin​
    Kopczynski, M.; Lenzer, T.; Oum, K.; Seehusen, J.; Seidel, M. T. & Ushakov, V. G.​ (2005) 
    Physical Chemistry Chemical Physics, 7(14) pp. 2793​-2803​.​ DOI: https://doi.org/10.1039/b506574g 
    ​Details  DOI  PMID  PMC  WoS 
  • 2005 | Journal Article
    ​ ​Mechanism and rate of the reaction CH3+O- revisited​
    Hack, W.; Hold, M.; Hoyermann, K.; Wehmeyer, J. & Zeuch, T.​ (2005) 
    Physical Chemistry Chemical Physics, 7(9) pp. 1977​-1984​.​ DOI: https://doi.org/10.1039/b419137d 
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  • 2005 | Journal Article
    ​ ​Multiplex detection of collisional energy transfer using KCSFI​
    Frerichs, H.; Lenzer, T.; Luther, K. & Schwarzer, D.​ (2005) 
    Physical Chemistry Chemical Physics, 7(4) pp. 620​-626​.​ DOI: https://doi.org/10.1039/b417344a 
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  • 2005 | Conference Paper
    ​ ​Temperature and pressure dependence of ion-molecule association and dissociation reactions: the N-2(+)+N-2(+M)double left right arrow N-4(+)(+M) reaction​
    Troe, J.​ (2005)
    Physical Chemistry Chemical Physics, 7(7) pp. 1560​-1567. ​85th International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, Marburg, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b417945p 
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  • 2005 | Conference Paper
    ​ ​Reduced-dimensionality calculation of reaction cross sections and rate constant for the complex-forming gas-phase S(N)2 reaction Cl-+CH3Cl ' -> ClCH3+Cl '(-)​
    Hennig, C. & Schmatz, S.​ (2005)
    Physical Chemistry Chemical Physics, 7(7) pp. 1552​-1559. ​85th International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, Marburg, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b417288d 
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  • 2005 | Conference Paper
    ​ ​Dynamics of ion-molecule complex formation at very low energies and temperatures​
    Nikitin, E. E. & Troe, J.​ (2005)
    Physical Chemistry Chemical Physics, 7(7) pp. 1540​-1551. ​85th International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, Marburg, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b416401f 
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  • 2005 | Journal Article
    ​ ​A theoretical investigation of the vibrational states of HCO2- and its isotopomers​
    Krekeler, C.; Mladenovic, M. & Botschwina, P.​ (2005) 
    Physical Chemistry Chemical Physics, 7(5) pp. 882​-887​.​ DOI: https://doi.org/10.1039/b417942k 
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  • 2005 | Journal Article
    ​ ​IR signature of (CO2)(N) clusters: size, shape and structural effects​
    Bonnamy, A.; Georges, R.; Hugo, E. & Signorell, R.​ (2005) 
    Physical Chemistry Chemical Physics, 7(5) pp. 963​-969​.​ DOI: https://doi.org/10.1039/b414670k 
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  • 2005 | Journal Article
    ​ ​Combined jet relaxation and quantum chemical study of the pairing preferences of ethanol​
    Emmeluth, C.; Dyczmons, V.; Kinzel, T.; Botschwina, P.; Suhm, M. A.   & Yanez, M.​ (2005) 
    Physical Chemistry Chemical Physics, 7(5) pp. 991​-997​.​ DOI: https://doi.org/10.1039/b417870j 
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  • 2004 | Conference Paper
    ​ ​Infrared spectra of phenanthrene particles generated by pulsed rapid expansion of CO2 solutions​
    Hermsdorf, D.; Bonnamy, A.; Suhm, M. A.   & Signorell, R.​ (2004)
    Physical Chemistry Chemical Physics, 6(19) pp. 4652​-4657. ​3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates​, Kassel, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b406193d 
    ​Details  DOI  WoS 
  • 2004 | Conference Paper
    ​ ​Supersonic jet FTIR and quantum chemical investigations of ammonia/acetylene clusters​
    Liu, Y. Q.; Suhm, M. A.   & Botschwina, P.​ (2004)
    Physical Chemistry Chemical Physics, 6(19) pp. 4642​-4651. ​3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates​, Kassel, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b408919g 
    ​Details  DOI  WoS 
  • 2004 | Conference Paper
    ​ ​Quantum dynamics of the complex-forming S(N)2 reaction Cl-+CD3Cl ' -> ClCD3 + Cl '(-) on a four-dimensional coupled-cluster potential surface​
    Botschwina, P.; Hennig, C. & Schmatz, S.​ (2004)
    Physical Chemistry Chemical Physics, 6(19) pp. 4630​-4635. ​3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates​, Kassel, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b408965k 
    ​Details  DOI  WoS 
  • 2004 | Conference Paper
    ​ ​Size-selective vibrational spectroscopy of methyl glycolate clusters: comparison with ragout-jet FTIR spectroscopy​
    Farnik, M.; Steinbach, C.; Weimann, M.; Buck, U.; Borho, N. & Suhm, M. A. ​ (2004)
    Physical Chemistry Chemical Physics, 6(19) pp. 4614​-4620. ​3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates​, Kassel, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b408506j 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​Ice perfection and onset of anomalous preservation of gas hydrates​
    Kuhs, W. F.; Genov, G.; Staykova, D. K. & Hansen, T. C.​ (2004) 
    Physical Chemistry Chemical Physics, 6(21) pp. 4917​-4920​.​ DOI: https://doi.org/10.1039/b412866d 
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  • 2004 | Journal Article
    ​ ​Photo-induced decomposition of organic peroxides: Ultrafast formation and decarboxylation of carbonyloxy radicals​
    Buback, M.; Kling, M.; Schmatz, S. & Schroeder, J.​ (2004) 
    Physical Chemistry Chemical Physics, 6(24) pp. 5441​-5455​.​ DOI: https://doi.org/10.1039/b410875b 
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  • 2004 | Journal Article
    ​ ​Vibrationally excited states of NC4P: millimetre-wave spectroscopy and coupled cluster calculations​
    Bizzocchi, L.; Esposti, C. D. & Botschwina, P.​ (2004) 
    Physical Chemistry Chemical Physics, 6(1) pp. 46​-50​.​ DOI: https://doi.org/10.1039/b311745f 
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  • 2004 | Journal Article
    ​ ​Recombination of benzyl radicals: dependence on the bath gas, temperature, and pressure​
    Luther, K.; Oum, K.; Sekiguchi, K. & Troe, J.​ (2004) 
    Physical Chemistry Chemical Physics, 6(16) pp. 4133​-4141​.​ DOI: https://doi.org/10.1039/b407074g 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​The performance of the semi-empirical AM1 method on small and nanometre-sized N2O clusters​
    Häber, T.; Kevorkiants, R.; Thiel, W. & Suhm, M. A. ​ (2004) 
    Physical Chemistry Chemical Physics, 6(21) pp. 4939​-4949​.​ DOI: https://doi.org/10.1039/b409258a 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​Pressure dependence of the reaction H+O-2 (+Ar) -> HO2 (+Ar) in the range 1-900 bar and 300-700 K​
    Hahn, J.; Krasnoperov, L.; Luther, K. & Troe, J.​ (2004) 
    Physical Chemistry Chemical Physics, 6(9) pp. 1997​-1999​.​ DOI: https://doi.org/10.1039/b404146a 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​Tailor-made aggregates of alpha-hydroxy esters in supersonic jets​
    Borho, N. & Suhm, M. A. ​ (2004) 
    Physical Chemistry Chemical Physics, 6(10) pp. 2885​-2890​.​ DOI: https://doi.org/10.1039/b315765b 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​A detailed chemical reaction mechanism for the oxidation of hydrocarbons and its application to the analysis of benzene formation in fuel-rich premixed laminar acetylene and propene flames​
    Hoyermann, K.; Mauss, F. & Zeuch, T.​ (2004) 
    Physical Chemistry Chemical Physics, 6(14) pp. 3824​-3835​.​ DOI: https://doi.org/10.1039/b404632c 
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  • 2004 | Journal Article
    ​ ​Extension of panoramic cluster jet spectroscopy into the far infrared: Low frequency modes of methanol and water clusters​
    Liu, Y. Q.; Weimann, M. & Suhm, M. A. ​ (2004) 
    Physical Chemistry Chemical Physics, 6(13) pp. 3315​-3319​.​ DOI: https://doi.org/10.1039/b402379j 
    ​Details  DOI  WoS 
  • 2004 | Journal Article
    ​ ​On the accuracy of collisional energy transfer parameters for reaction kinetics applications: detailed evaluation of data from direct experiments​
    Lenzer, T. & Luther, K.​ (2004) 
    Physical Chemistry Chemical Physics, 6(5) pp. 955​-959​.​ DOI: https://doi.org/10.1039/b313922k 
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  • 2003 | Journal Article
    ​ ​Energy dependence of the intramultiplet mixing cross section in Hg-N(2) collisions: Conical intersection mechanism, indication at tunneling and interference​
    Dashevskaya, E. I.; Nikitin, E. E.; Ohmori, K.; Okunishi, M.; Oref, I. & Sato, Y.​ (2003) 
    Physical Chemistry Chemical Physics, 5(6) pp. 1198​-1204​.​ DOI: https://doi.org/10.1039/b211439a 
    ​Details  DOI  WoS 
  • 2003 | Journal Article
    ​ ​FTIR-spectroscopy of isolated and argon coated (HBr)(n <= 4) clusters in supersonic slit-jet expansions​
    Haber, T.​ (2003) 
    Physical Chemistry Chemical Physics, 5(7) pp. 1365​-1369​.​ DOI: https://doi.org/10.1039/b212435a 
    ​Details  DOI  WoS 
  • 2003 | Journal Article
    ​ ​The rotational spectrum up to 1 THz and the molecular structure of thiomethylium, HCS​
    Margules, L.; Lewen, F.; Winnewisser, G.; Botschwina, P. & Mueller, H.​ (2003) 
    Physical Chemistry Chemical Physics, 5(13) pp. 2770​-2773​.​ DOI: https://doi.org/10.1039/b303260d 
    ​Details  DOI  WoS 
  • 2003 | Review
    ​ ​Spectroscopic properties of interstellar molecules: Theory and experiment​
    Botschwina, P.​ (2003)
    Physical Chemistry Chemical Physics, 5​(16) pp. 3337​-3348​.​
    Royal Soc Chemistry. DOI: https://doi.org/10.1039/b303753n 
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  • 2003 | Journal Article
    ​ ​A chemical approach towards the spectroscopy of carboxylic acid dimer isomerism​
    Emmeluth, C. & Suhm, M. A. ​ (2003) 
    Physical Chemistry Chemical Physics, 5(15) pp. 3094​-3099​.​ DOI: https://doi.org/10.1039/b303816e 
    ​Details  DOI  WoS 
  • 2003 | Journal Article
    ​ ​Observation of unique pressure effects in the combination reaction of benzyl radicals in the gas to liquid transition region​
    Oum, K.; Sekiguchi, K.; Luther, K. & Troe, J.​ (2003) 
    Physical Chemistry Chemical Physics, 5(14) pp. 2931​-2933​.​ DOI: https://doi.org/10.1039/b305954e 
    ​Details  DOI  WoS 
  • 2003 | Conference Paper
    ​ ​On-line and in situ optical detection of particles of organic molecules formed by rapid expansion of supercritical solutions (RESS) of CO2​
    Oum, K.; Harrison, J. J.; Lee, C.; Wild, D. A.; Luther, K. & Lenzer, T.​ (2003)
    Physical Chemistry Chemical Physics, 5(24) pp. 5467​-5471. ​80th International Bunsen Discussion Meeting on Dynamics of Molecular Phenomena in Supercritical Fluids​, TUTZING, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b312040f 
    ​Details  DOI  WoS 
  • 2003 | Journal Article
    ​ ​Vibrationally excited states of HC5P: millimetre-wave spectroscopy and coupled cluster calculations​
    Bizzocchi, L.; Esposti, C. D. & Botschwina, P.​ (2003) 
    Physical Chemistry Chemical Physics, 5(19) pp. 4090​-4095​.​ DOI: https://doi.org/10.1039/b307069g 
    ​Details  DOI  WoS 
  • 2003 | Journal Article
    ​ ​Decarboxylation of carbonyloxy radicals: a density functional study​
    Kling, M. & Schmatz, S.​ (2003) 
    Physical Chemistry Chemical Physics, 5(18) pp. 3891​-3896​.​ DOI: https://doi.org/10.1039/b304544g 
    ​Details  DOI  WoS 
  • 2002 | Journal Article
    ​ ​Glycidol dimer: anatomy of a molecular handshake​
    Borho, N. & Suhm, M. A. ​ (2002) 
    Physical Chemistry Chemical Physics, 4(12) pp. 2721​-2732​.​ DOI: https://doi.org/10.1039/b111123j 
    ​Details  DOI  WoS 
  • 2002 | Journal Article
    ​ ​Classical diffusion model of vibrational predissociation of van der Waals complexes - Part III. Comparison with quantum calculations​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Oref, I. & Troe, J.​ (2002) 
    Physical Chemistry Chemical Physics, 4(14) pp. 3330​-3340​.​ DOI: https://doi.org/10.1039/b200568a 
    ​Details  DOI  WoS 
  • 2002 | Journal Article
    ​ ​Shock wave study of the unimolecular dissociation of H2O2 in its falloff range and of its secondary reactions​
    Kappel, C.; Luther, K. & Troe, J.​ (2002) 
    Physical Chemistry Chemical Physics, 4(18) pp. 4392​-4398​.​ DOI: https://doi.org/10.1039/b204364e 
    ​Details  DOI  WoS 
  • 2002 | Conference Paper
    ​ ​Bond valence analysis of transport pathways in RMC models of fast ion conducting glasses​
    Adams, S. & Swenson, J.​ (2002)
    Physical Chemistry Chemical Physics, 4(14) pp. 3179​-3184. ​79th International Bunsen Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, MUNSTER, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b111310k 
    ​Details  DOI  WoS 
  • 2002 | Journal Article
    ​ ​Anharmonicity and guest-host coupling in clathrate hydrates​
    Chazallon, B.; Itoh, H.; Koza, M.; Kuhs, W. F. & Schober, H.​ (2002) 
    Physical Chemistry Chemical Physics, 4(19) pp. 4809​-4816​.​ DOI: https://doi.org/10.1039/b202464k 
    ​Details  DOI  WoS 
  • 2002 | Conference Paper
    ​ ​Laser powered homogeneous pyrolysis of ethyne, propyne, and propadiene initiated by methyl radicals: formation and degradation of hydrocarbons at 800-950 K​
    Goos, E.; Hippler, H.; Hoyermann, K. & Jurges, B.​ (2002)
    Physical Chemistry Chemical Physics, 4(11) pp. 2011​-2018. ​77th International Bunsen Discussion Meeting of the Deutsche-Bunsengesellschaft-fur-Physikalische-Chemie​, BAD HERRENALB, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b111643f 
    ​Details  DOI  WoS 
  • 2002 | Journal Article
    ​ ​A first glimpse at the acidic proton vibrations in HCl-water clusters via supersonic jet FTIR spectroscopy​
    Weimann, M.; Farnik, M. & Suhm, M. A. ​ (2002) 
    Physical Chemistry Chemical Physics, 4(16) pp. 3933​-3937​.​ DOI: https://doi.org/10.1039/b204840j 
    ​Details  DOI  WoS 
  • 2001 | Conference Paper
    ​ ​Direct observation of intramolecular vibrational energy redistribution of selectively excited CH2I2 and C3H5I molecules in solution​
    Charvat, A.; Assmann, J.; Abel, B.; Schwarzer, D.; Henning, K.; Luther, K. & Troe, J.​ (2001)
    Physical Chemistry Chemical Physics, 3(12) pp. 2230​-2240. ​International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, GOTTINGEN, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b100057h 
    ​Details  DOI  WoS 
  • 2001 | Conference Paper
    ​ ​Classical diffusion model of vibrational predissociation of van der Waals complexes - Part II. Comparison with trajectory calculations and analytical approximations​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E. & Troe, J.​ (2001)
    Physical Chemistry Chemical Physics, 3(12) pp. 2315​-2324. ​International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, GOTTINGEN, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b009299l 
    ​Details  DOI  WoS 
  • 2001 | Conference Paper
    ​ ​Collisional energy transfer of highly vibrationally excited toluene and pyrazine: Transition probabilities and relaxation pathways from KCSI experiments and trajectory calculations​
    Grigoleit, U.; Lenzer, T.; Luther, K.; Mutzel, M. & Takahara, A.​ (2001)
    Physical Chemistry Chemical Physics, 3(12) pp. 2191​-2202. ​International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, GOTTINGEN, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b100151p 
    ​Details  DOI  WoS 
  • 2001 | Journal Article
    ​ ​The hydrogen-bonded cluster anions Br-center dot center dot center dot HCCH and I-center dot center dot center dot HCCH: results of coupled cluster calculations​
    Botschwina, P. & Stoll, H.​ (2001) 
    Physical Chemistry Chemical Physics, 3(11) pp. 1965​-1972​.​ DOI: https://doi.org/10.1039/b100549i 
    ​Details  DOI  WoS 
  • 2001 | Conference Paper
    ​ ​Unimolecular decay of the Cl-center dot center dot center dot CH3Cl complex: Influence of symmetry breaking​
    Hauschildt, J.; Schinke, R.; Schmatz, S. & Botschwina, P.​ (2001)
    Physical Chemistry Chemical Physics, 3(12) pp. 2275​-2281. ​International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, GOTTINGEN, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b009879p 
    ​Details  DOI  WoS 
  • 2001 | Conference Paper
    ​ ​Numbers and densities of states and partition functions from an efficient approach to phase space integration​
    Taubmann, G. & Schmatz, S.​ (2001)
    Physical Chemistry Chemical Physics, 3(12) pp. 2296​-2305. ​International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, GOTTINGEN, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b009788h 
    ​Details  DOI  WoS 
  • 2001 | Journal Article
    ​ ​The formation of N(2)O nanoparticles in a collisional cooling cell between 4 and 110 K​
    Kunzmann, M. K.; Signorell, R.; Taraschewski, M. & Bauerecker, S.​ (2001) 
    Physical Chemistry Chemical Physics, 3(17) pp. 3742​-3749​.​ DOI: https://doi.org/10.1039/b104048k 
    ​Details  DOI  WoS 
  • 2001 | Journal Article | Letter Note
    ​ ​Comment on "On the high pressure rate constants for the H/Mu+O-2 addition reactions' by J. M. C. Marques and A. J. C. Varandas, Phys. Chem. Chem. Phys., 2001, 3, 505​
    Harding, L. B.; Troe, J. & Ushakov, V. G.​ (2001) 
    Physical Chemistry Chemical Physics, 3(13) pp. 2630​-2631​.​ DOI: https://doi.org/10.1039/b102050l 
    ​Details  DOI  WoS 
  • 2001 | Journal Article
    ​ ​Chiral self-recognition in the gas phase: the case of glycidol dimers​
    Borho, N.; Haber, T. & Suhm, M. A. ​ (2001) 
    Physical Chemistry Chemical Physics, 3(11) pp. 1945​-1948​.​ DOI: https://doi.org/10.1039/b102382a 
    ​Details  DOI  WoS 
  • 2001 | Conference Paper
    ​ ​Mechanism of the 1-C4H9+O reaction and the kinetics of the intermediate 1-C4H9O radical​
    Hack, W.; Hoyermann, K.; Kersten, C.; Olzmann, M. & Viskolcz, B.​ (2001)
    Physical Chemistry Chemical Physics, 3(12) pp. 2365​-2371. ​International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie​, GOTTINGEN, GERMANY.
    Cambridge​: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b100149n 
    ​Details  DOI  WoS 
  • 2001 | Journal Article | Letter Note
    ​ ​Competitive processes in vibrationally highly excited molecules - International Bunsen Discussion Meeting of the Deutsche Bunsen-Gesellschaft fur Physikalische Chemie, Gottingen, 4-7 October, 2000​
    Luther, K.; Schroeder, J. & Troe, J.​ (2001) 
    Physical Chemistry Chemical Physics, 3(12).​
    ​Details  WoS 
  • 2000 | Journal Article
    ​ ​Exploring a hydrogen-bond terminus: spectroscopy of eucalyptol-alcohol clusters​
    Raveendran, P.; Zimmermann, D.; Haber, T. & Suhm, M. A. ​ (2000) 
    Physical Chemistry Chemical Physics, 2(16) pp. 3555​-3563​.​ DOI: https://doi.org/10.1039/b003024o 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Laser powered homogeneous pyrolysis of butane initiated by methyl radicals in a quasi-wall-free reactor at 750-1000 K​
    Goos, E.; Hippler, H.; Hoyermann, K. & Jurges, B.​ (2000) 
    Physical Chemistry Chemical Physics, 2(22) pp. 5127​-5132​.​ DOI: https://doi.org/10.1039/b005219l 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Classical diffusion model of vibrational predissociation of van der Waals complexes: truncated mean first passage time approximation​
    Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Oref, I. & Troe, J.​ (2000) 
    Physical Chemistry Chemical Physics, 2(10) pp. 2251​-2259​.​ DOI: https://doi.org/10.1039/a909894a 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Is SH4, the simplest 10-S-4 sulfurane, observable?​
    Wittkopp, A.; Prall, M.; Schreiner, P. R. & Schaefer, H. F.​ (2000) 
    Physical Chemistry Chemical Physics, 2(10) pp. 2239​-2244​.​ DOI: https://doi.org/10.1039/b000597p 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Experimental and theoretical study of the temperature and pressure dependences of the recombination reactions O+NO2(+M) -> NO3(+M) and NO2+NO3(+M) -> N2O5(+M)​
    Hahn, J.; Luther, K. & Troe, J.​ (2000) 
    Physical Chemistry Chemical Physics, 2(22) pp. 5098​-5104​.​ DOI: https://doi.org/10.1039/b005756h 
    ​Details  DOI  WoS 
  • 2000 | Journal Article
    ​ ​Classical trajectory calculations of the high pressure limiting rate constants and of specific rate constants for the reaction H+O-2 -> HO2: dynamic isotope effects between tritium plus O-2 and muonium plus O-2​
    Harding, L. B.; Troe, J. & Ushakov, V. G.​ (2000) 
    Physical Chemistry Chemical Physics, 2(4) pp. 631​-642​.​ DOI: https://doi.org/10.1039/a908929b 
    ​Details  DOI  WoS 
  • 2000 | Journal Article | Research Paper
    ​ ​Interaction of melittin with solid supported membranes​
    Steinem, C. ; Galla, H.-J. & Janshoff, A. ​ (2000) 
    Physical Chemistry Chemical Physics, 2(20) pp. 4580​-4585​.​ DOI: https://doi.org/10.1039/b003865m 
    ​Details  DOI  WoS 
  • 1999 | Journal Article
    ​ ​FTIR-spectroscopy of molecular clusters in pulsed supersonic slit-jet expansions​
    Häber, T.; Schmitt, U. & Suhm, M. A. ​ (1999) 
    Physical Chemistry, Chemical Physics, 1(24) pp. 5573​-5582​.​ DOI: https://doi.org/10.1039/a907264k 
    ​Details  DOI 

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