Physical Chemistry, Chemical Physics

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  • 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 Physics24(1) pp. 497-506.​
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  • 2022 Journal Article
    ​ Rotational analysis of naphthol-aromatic ring complexes stabilized by electrostatic and dispersion interactions
    Quesada-Moreno, M. M.; Schnell, M. & Obenchain, D. A. (2022) 
    Physical Chemistry Chemical Physics,.​
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  • 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 Physics24(11) pp. 6699-6715.​
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  • 2022 Journal Article
    ​ Dynamical component exchange in a model phase separating system: an NMR-based approach
    Pantoja, C. F.; Zweckstetter, M. & Rezaei-Ghaleh, N. (2022) 
    Physical Chemistry Chemical Physics24(10) pp. 6169-6175.​
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  • 2022 Journal Article
    ​ Real-time monitoring of aerosol particle formation from sulfuric acid vapor at elevated concentrations and temperatures
    Becker, D.; Heitland, J.; Carlsson, P. T. M.; Elm, J.; Olenius, T.; Tödter, S. & Kharrazizadeh, A. et al. (2022) 
    Physical Chemistry Chemical Physics24(8) pp. 5001-5013.​
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  • 2022 Journal Article
    ​ Detecting chirality in mixtures using nanosecond photoelectron circular dichroism
    Ranecky, S. T.; Park, G. B.; Samartzis, P. C.; Giannakidis, I. C.; Schwarzer, D.; Senftleben, A. & Baumert, T. et al. (2022) 
    Physical Chemistry Chemical Physics24(5) pp. 2758-2761.​
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  • 2022 Journal Article
    ​ Effective medium theory for bcc metals: electronically non-adiabatic H atom scattering in full dimensions
    Hertl, N.; Kandratsenka, A. & Wodtke, A. M. (2022) 
    Physical Chemistry Chemical Physics24(15) pp. 8738-8748.​
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  • 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 Physics23(7) pp. 4394-4403.​
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  • 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 Physics23(8) pp. 4480-4485.​
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  • 2021 Journal Article
    ​ Alkali metal adsorption on metal surfaces: new insights from new tools
    Raghavan, A.; Slocombe, L.; Spreinat, A.; Ward, D. J.; Allison, W.; Ellis, J. & Jardine, A. P. et al. (2021) 
    Physical Chemistry Chemical Physics23(13) pp. 7822-7829.​
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  • 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 Physics23(14) pp. 8825-8835.​
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  • 2021 Journal Article
    ​ Understanding dispersion interactions in molecular chemistry
    Janek, J.; Schreiner, P. R. & Suhm, M. A. (2021) 
    Physical Chemistry Chemical Physics23(15) pp. 8960-8961.​
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  • 2021 Journal Article
    ​ Temperature evolution in IR action spectroscopy experiments with sodium doped water clusters
    Becker, D.; Dierking, C. W.; Suchan, J.; Zurheide, F.; Lengyel, J.; Fárník, M. & Slavíček, P. et al. (2021) 
    Physical Chemistry Chemical Physics23(13) pp. 7682-7695.​
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  • 2021 Journal Article
    ​ Rovibronic signatures of molecular aggregation in the gas phase: subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol
    Medel, R.; Camiruaga, A.; Saragi, R. T.; Pinacho, P.; Pérez, C.; Schnell, M. & Lesarri, A. et al. (2021) 
    Physical Chemistry Chemical Physics23(41) pp. 23610-23624.​
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  • 2021 Journal Article
    ​ Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods
    Medel, R. & Suhm, M. A. (2021) 
    Physical Chemistry Chemical Physics23(9) pp. 5629-5643.​
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  • 2021 Journal Article | Original Work
    ​ Isomeric effects in structure formation and dielectric dynamics of different octanols
    Bolle, J.; Bierwirth, S. P.; Požar, M.; Perera, A.; Paulus, M.; Münzner, P. & Albers, C. et al. (2021) 
    Physical Chemistry, Chemical Physics23(42) pp. 24211-24221.​
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  • 2021 Journal Article
    ​ Shock wave and modelling study of the unimolecular dissociation of Si(CH 3 ) 2 F 2 : an access to spectroscopic and kinetic properties of SiF 2
    Cobos, C. J.; Sölter, L.; Tellbach, E. & Troe, J. (2021) 
    Physical Chemistry Chemical Physics23(39) pp. 22437-22442.​
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  • 2021 Journal Article
    ​ CC-stretched formic acid: isomerisation, dimerisation, and carboxylic acid complexation
    Meyer, K. A. E. & Nejad, A. (2021) 
    Physical Chemistry Chemical Physics23(32) pp. 17208-17223.​
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  • 2021 Journal Article
    ​ Simple models for the quick estimation of ground state hydrogen tunneling splittings in alcohols and other compounds
    Medel, R. (2021) 
    Physical Chemistry Chemical Physics23(32) pp. 17591-17605.​
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  • 2021 Journal Article | Original Work
    ​ Ion association in hydrothermal aqueous NaCl solutions: implications for the microscopic structure of supercritical water
    Elbers, M.; Schmidt, C.; Sternemann, C.; Sahle, C. J.; Jahn, S.; Albers, C. & Sakrowski, R. et al. (2021) 
    Physical Chemistry, Chemical Physics23(27) pp. 14845-14856.​
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  • 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 Physics23(45) pp. 25784-25788.​
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  • 2021 Journal Article
    ​ Exotic nuclear spin behavior in dendritic macromolecules
    Saul, P.; Yang, S.; Mamone, S.; Opazo, F.; Meyer, A.; Rizzoli, S. O.   & Glöggler, S. (2021) 
    Physical Chemistry Chemical Physics23(46) pp. 26349-26355.​
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  • 2020 Journal Article | Original Work
    ​ XeOCS: relatively straightforward?
    Kraus, P.; Obenchain, D. A. ; Herbers, S.; Wachsmuth, D.; Frank, I. & Grabow, J.-U. (2020) 
    Physical Chemistry, Chemical Physics22(10) pp. 5615-5624.​
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  • 2020 Journal Article
    ​ On the separability of large-amplitude motions in anharmonic frequency calculations
    Nejad, A. & Crittenden, D. L. (2020) 
    Physical Chemistry Chemical Physics22(36) pp. 20588-20601.​
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  • 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 Physics22(17) pp. 9637-9646.​
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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 Physics22(17) pp. 9308-9315.​
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  • 2020 Journal Article
    ​ Accessing distributions of exchange and dipolar couplings in stiff molecular rulers with Cu( ii ) centres
    Keller, K.; Ritsch, I.; Hintz, H.; Hülsmann, M.; Qi, M.; Breitgoff, F. D. & Klose, D. et al. (2020) 
    Physical Chemistry, Chemical Physics22(38) pp. 21707-21730.​
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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 Physics22(14) pp. 7404-7411.​
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  • 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 Physics22(19) pp. 10426-10430.​
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  • 2020 Journal Article
    ​ The reduced cohesion of homoconfigurational 1,2-diols
    Hartwig, B.; Lange, M.; Poblotzki, A.; Medel, R.; Zehnacker, A. & Suhm, M. A.  (2020) 
    Physical Chemistry Chemical Physics22(3) pp. 1122-1136.​
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  • 2020 Journal Article
    ​ Understanding benzyl alcohol aggregation by chiral modification: the pairing step
    Medel, R. & Suhm, M. A.  (2020) 
    Physical Chemistry Chemical Physics22(44) pp. 25538-25551.​
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  • 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 Physics22(44) pp. 25492-25501.​
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  • 2020 Journal Article
    ​ 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 Physics22(47) pp. 27914-27915.​
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  • 2020 Journal Article | Original Work
    ​ An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality
    Wille, S.; Jiang, H.; Bünermann, O.; Wodtke, A. M. ; Behler, J.   & Kandratsenka, A. (2020) 
    Physical Chemistry Chemical Physics22(45) pp. 26113-26120.​
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  • 2020 Journal Article | Original Work
    ​ 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 Physics22(31) pp. 17532-17539.​
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  • 2020 Journal Article
    ​ 2-Methoxyethanol: harmonic tricks, anharmonic challenges and chirality-sensitive chain aggregation
    Gawrilow, M. & Suhm, M. A.  (2020) 
    Physical Chemistry, Chemical Physics22(27) pp. 15303-15311.​
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  • 2020 Journal Article
    ​ Three-dimensional docking of alcohols to ketones: an experimental benchmark based on acetophenone solvation energy balances
    Zimmermann, C.; Gottschalk, H. C. & Suhm, M. A.  (2020) 
    Physical Chemistry, Chemical Physics22(5) pp. 2870-2877.​
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  • 2020 Journal Article | Original Work
    ​ 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 Physics22(9) pp. 5170-5177.​
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  • 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 Physics21(4) pp. 1650-1655.​
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  • 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 Physics21(37) pp. 20678-20692.​
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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 Physics21(41) pp. 22849-22856.​
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  • 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 Physics21(35) pp. 18799-18810.​
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  • 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 Physics21(29) pp. 16032-16046.​
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  • 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 Physics21(11) pp. 5989-5998.​
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  • 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 Physics21(19) pp. 9785-9792.​
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  • 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 Physics21(3) pp. 1277-1284.​
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  • 2019 Journal Article | Original Work
    ​ 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 Physics21(13) pp. 7016-7020.​
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  • 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 Physics21(19) pp. 9672-9682.​
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  • 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 Physics21(28) pp. 15630-15638.​
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  • 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 Physics21(43) pp. 23893-23899.​
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  • 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 Physics21(15) pp. 7831-7840.​
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  • 2018 Journal Article | Original Work
    ​ 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 Physics20(21) pp. 14664-14670.​
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  • 2018 Journal Article | Original Work
    ​ 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 Physics20(10) pp. 7093-7104.​
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  • 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 Physics20(3) pp. 1615-1628.​
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  • 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 Physics20(4) pp. 2627-2636.​
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  • 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 Physics20(41) pp. 26351-26361.​
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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 Physics20(21) pp. 14537-14544.​
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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 Physics20(16) pp. 10561-10568.​
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  • 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 Physics19(42) pp. 28731-28748.​
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  • 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 Physics19(4) pp. 3151-3158.​
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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 Physics19(4) pp. 3159-3164.​
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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) 
    Phys. Chem. Chem. Phys.,.​
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  • 2017 Journal Article | Original Work
    ​ 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 Physics19(15) pp. 9762-9769.​
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  • 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 Physics19(27) pp. 18076-18088.​
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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 Physics19(30) pp. 19896-19903.​
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  • 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 Physics19(28) pp. 18128-18146.​
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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 Physics19(41) pp. 28249-28262.​
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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 Physics19(17) pp. 10727-10737.​
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  • 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 Physics19(47) pp. 31823-31829.​
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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 Physics19(44) pp. 29984-29990.​
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  • 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 Physics19(30) pp. 19904-19915.​
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  • 2017 Journal Article | Original Work
    ​ 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 Physics19(21) pp. 13596-13603.​
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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 Physics19(13) pp. 8989-8999.​
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  • 2016 Journal Article | Original Work
    ​ 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 Physics18(29) pp. 19866-19872.​
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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 Physics18(5) pp. 3739-3745.​
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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 Physics18(39) pp. 27265-27271.​
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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 Physics18(37) pp. 25975-25983.​
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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 Physics18(45) pp. 31064-31071.​
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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 Physics18(16) pp. 11184-11192.​
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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 Physics18(22) pp. 14933-14940.​
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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 Physics18(22) pp. 15399-15405.​
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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 Physics18(22) pp. 14976-14979.​
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  • 2016 Journal Article | Original Work
    ​ 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 Physics18(21) pp. 14252-14256.​
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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 Physics18(32) pp. 22355-22363.​
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  • 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) 
    Phys. Chem. Chem. Phys.18(29) pp. 19668-19675.​
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  • 2016 Journal Article | Original Work
    ​ 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 Physics18(7) pp. 5397-5403.​
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  • 2016 Journal Article | Original Work
    ​ 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 Physics18(9) pp. 6925-6930.​
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  • 2016 Journal Article
    ​ Reaction cross sections and thermal rate constant for Cl- + CH3Br -> ClCH3 + Br- from J-dependent quantum scattering calculations
    Hennig, C. & Schmatz, S. (2016) 
    Physical Chemistry Chemical Physics18(29) pp. 19668-19675.​
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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 Physics18(26) pp. 17592-17596.​
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  • 2015 Journal Article | Original Work
    ​ 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 Physics17(26) pp. 17266-17270.​
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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 Physics17(15) pp. 9899-9909.​
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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 Physics17(1) pp. 151-158.​
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  • 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 Physics17(30) pp. 19700-19708.​
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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 Physics17(30) pp. 19709-19717.​
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  • 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 Physics17(29) pp. 18961-18970.​
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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 Physics17(35) pp. 22758-22769.​
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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 Physics17(40) pp. 26670-26676.​
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  • 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 Physics17(17) pp. 11540-11545.​
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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 Physics17(32) pp. 20741-20753.​
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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 Physics17(17) pp. 11144-11149.​
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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 Physics17(48) pp. 32219-32224.​
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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 Physics17(16) pp. 10478-10488.​
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  • 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 Physics17(19) pp. 13045-13052.​
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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 Physics17(10) pp. 6858-6864.​
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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 Physics17(22) pp. 14994-15000.​
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  • 2014 Journal Article | Original Work
    ​ 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 Physics16(16) pp. 7423-7429.​
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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 Physics16(30) pp. 15948-15956.​
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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 Physics16(21) pp. 9849-9858.​
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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 Physics16(21) pp. 9797-9807.​
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  • 2014 Journal Article
    ​ 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 Physics16(36) pp. 19365-19375.​
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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 Physics16(47).​
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  • 2014 Journal Article
    ​ 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 Physics16(20) pp. 9546-9555.​
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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 Physics16(40) pp. 22364-22372.​
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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 Physics16(17) pp. 7681-7685.​
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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 Physics16(39) pp. 21252-21270.​
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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 Physics16(15) pp. 6859-6871.​
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  • 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 Physics16(40) pp. 21930-21935.​
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  • 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 Physics16(19) pp. 8795-8800.​
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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 Physics16(48) pp. 26691-26696.​
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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 Physics16(16) pp. 7602-7610.​
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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 Physics16(2) pp. 792-798.​
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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 Physics15(27) pp. 11257-11267.​
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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 Physics15(47) pp. 20600-20610.​
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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 Physics15(41) pp. 18115-18122.​
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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 Physics15(25) pp. 10167-10180.​
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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 Physics15(2) pp. 576-580.​
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  • 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 Physics15(6) pp. 1863-1867.​
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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 Physics15(10) pp. 3433-3437.​
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  • 2013 Journal Article | 
    ​ Femtisecond single-mole infrared spectroscopy of molecular clusters
    Suhm, M. A.   & Kollipost, F. (2013) 
    Physical Chemistry Chemical Physics15(26) pp. 10702-10721.​
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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 Physics15(18) pp. 6737-6748.​
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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 Physics15(23) pp. 9308-9314.​
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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 Physics15(38) pp. 16065-16073.​
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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 Physics15(36) pp. 14951-14955.​
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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 Physics15(17) pp. 6355-6367.​
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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 : PCCP14(44) pp. 15429-15437.​
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  • 2012 Journal Article | Original Work
    ​ Exploring the thermodynamic derivatives of the structure factor of dense protein solutions
    Schroer, M. A.; Tolan, M.   & Winter, R. (2012) 
    Physical Chemistry, Chemical Physics14(26) pp. 9486-9491.​
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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 Physics14(33) pp. 11651-11656.​
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  • 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 Physics14(47) pp. 16386-16391.​
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  • 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 Physics14(37) pp. 12982-12991.​
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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 Physics14(2) pp. 502-510.​
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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 Physics14(45) pp. 15637-15640.​
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  • 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 Physics14(33) pp. 11695-11705.​
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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 Physics14(9) pp. 3004-3016.​
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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 Physics14(8) pp. 2685-2692.​
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  • 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 Physics14(27) pp. 9606-9614.​
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  • 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 Physics14(18) pp. 6469-6478.​
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  • 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 Physics14(10) pp. 3596-3603.​
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  • 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 Physics14(42) pp. 14500-14508.​
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  • 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 Physics14(25) pp. 9054-9057.​
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  • 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 Physics14(37) pp. 12746-12749.​
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  • 2011 Journal Article | Original Work
    ​ 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 Physics13(45) pp. 20354-20360.​
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  • 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 Physics13 pp. 97-99.​
    Details  DOI 
  • 2011 Journal Article
    ​ Saturation factor of nitroxide radicals in liquid DNP by pulsed ELDOR experiments
    Türke, M.-T. & Bennati, M.  (2011) 
    Physical Chemistry, Chemical Physics13(9) pp. 3630.​
    Details  DOI 
  • 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 Physics13(31) pp. 14119-14130.​
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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 Physics13(43) pp. 19632-19640.​
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  • 2011 Journal Article | 
    ​ 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 Physics13(9) pp. 4159-4160.​
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  • 2011 Journal Article
    ​ Weak hydrogen bonds - strong effects?
    Herrebout, W. A. & Suhm, M. A.  (2011) 
    Physical Chemistry Chemical Physics13(31) pp. 13858-13859.​
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  • 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 Physics13(17) pp. 7921-7929.​
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  • 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 Physics13(28) pp. 12680-12692.​
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  • 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 Physics13(31) pp. 14050-14063.​
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  • 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 Physics13(31) pp. 14163-14175.​
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  • 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 Physics13(18) pp. 8153-8162.​
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  • 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 Physics13(31) pp. 14142-14152.​
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  • 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 Physics13(22) pp. 10491-10502.​
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  • 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 Physics13(23) pp. 10952-10964.​
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  • 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 Physics13(13) pp. 6340-6351.​
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  • 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 Physics13(31) pp. 14176-14182.​
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  • 2010 Journal Article | Original Work
    ​ 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 Physics12(17) pp. 4375-4382.​
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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 Physics12(39) pp. 12457-12465.​
    Details  DOI 
  • 2010 Journal Article
    ​ Application of high level wavefunction methods in quantum mechanics/molecular mechanics hybrid schemes
    Mata, R. A.  (2010) 
    Physical Chemistry, Chemical Physics12(19) pp. 5041-5052.​
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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 Physics12(42) pp. 14034-14044.​
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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 Physics12(22) pp. 5902.​
    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 Physics12(22) pp. 5893.​
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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 Physics12(35) pp. 10246.​
    Details  DOI 
  • 2010 Journal Article
    ​ 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 Physics12(22) pp. 5830-5840.​
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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 Physics12(29) pp. 8300-8310.​
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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 Physics12(31) pp. 8954-8968.​
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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 Physics12(31) pp. 8832-8839.​
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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 Physics12(31) pp. 9012-9017.​
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  • 2010 Journal Article
    ​ Chemical dynamics of large amplitude motion
    Nesbitt, D. J. & Suhm, M. A.  (2010) 
    Physical Chemistry Chemical Physics12(29).​
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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 Physics12(29) pp. 8152-8157.​
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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 Physics12(29) pp. 8201-8207.​
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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 Physics12(41) pp. 13555-13565.​
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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 Physics11(41) pp. 9364-9369.​
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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 Physics11(43) pp. 10029-10034.​
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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 Physics11(2) pp. 317-323.​
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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 Physics11(17) pp. 3168-3175.​
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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 Physics11(15) pp. 2601-2609.​
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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 Physics11(12) pp. 1923-1933.​
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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 Physics11(47) pp. 11157-11170.​
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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 Physics11(12) pp. 2087-2097.​
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  • 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 Physics10(12) pp. 1662-1668.​
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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 Physics10(34) pp. 5218-5224.​
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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 Physics10(9) pp. 1270-1276.​
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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 Physics10(39) pp. 5953-5956.​
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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 Physics10(26) pp. 3915-3924.​
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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 Physics10(29) pp. 4313-4321.​
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  • 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 Physics10(19) pp. 2827-2835.​
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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 Physics10(46) pp. 7010-7021.​
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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 Physics10(1) pp. 83-95.​
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  • 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 Physics10(16) pp. 2180-2188.​
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  • 2008 Journal Article
    ​ 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 Physics10(11) pp. 1483-1501.​
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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 Physics9(32) pp. 4472-4490.​
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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 Physics9(9) pp. 1107-1126.​
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  • 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 Physics9(13) pp. 1559-1567.​
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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 Physics9(26) pp. 3335-3360. 7th Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates, Gottingen, GERMANY.
    Cambridge: Royal Soc Chemistry.
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  • 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 Physics9(14) pp. 1688-1692.​
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  • 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 Physics9(32) pp. 4528-4534.​
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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 Physics8(20) pp. 2344-2348.​
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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 Physics8(10) pp. 1148-1158.​
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  • 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 Physics8(21) pp. 2499-2505.​
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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 Physics8(38) pp. 4449-4460.​
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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 Physics8(17) pp. 2012-2016.​
    Details  DOI 
  • 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 Physics8(8) pp. 994-1000.​
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  • 2006 Journal Article
    ​ Quantitative chirality synchronization in trifluoroethanol dimers
    Scharge, T.; Haeber, T. & Suhm, M. A.  (2006) 
    Physical Chemistry Chemical Physics8(40) pp. 4664-4667.​
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  • 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 Physics8(8) pp. 1007-1016.​
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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 Physics8(24) pp. 2826-2830.​
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  • 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 Physics7(9) pp. 1977-1984.​
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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 Physics7(14) pp. 2764-2770.​
    Details  DOI  PMID  PMC  WoS 
  • 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 Physics7(14) pp. 2793-2803.​
    Details  DOI  PMID  PMC  WoS 
  • 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 Physics7(7) pp. 1552-1559. 85th International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, Marburg, GERMANY.
    Cambridge: Royal Soc Chemistry.
    Details  DOI  PMID  PMC  WoS 
  • 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 Physics7(7) pp. 1560-1567. 85th International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, Marburg, GERMANY.
    Cambridge: Royal Soc Chemistry.
    Details  DOI  PMID  PMC  WoS 
  • 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 Physics7(5) pp. 991-997.​
    Details  DOI  PMID  PMC  WoS 
  • 2005 Journal Article
    ​ Multiplex detection of collisional energy transfer using KCSFI
    Frerichs, H.; Lenzer, T.; Luther, K. & Schwarzer, D. (2005) 
    Physical Chemistry Chemical Physics7(4) pp. 620-626.​
    Details  DOI  PMID  PMC  WoS 
  • 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 Physics7(5) pp. 882-887.​
    Details  DOI  PMID  PMC  WoS 
  • 2005 Conference Paper
    ​ Dynamics of ion-molecule complex formation at very low energies and temperatures
    Nikitin, E. E. & Troe, J. (2005)
    Physical Chemistry Chemical Physics7(7) pp. 1540-1551. 85th International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, Marburg, GERMANY.
    Cambridge: Royal Soc Chemistry.
    Details  DOI  PMID  PMC  WoS 
  • 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 Physics7(5) pp. 963-969.​
    Details  DOI  PMID  PMC  WoS 
  • 2005 Conference Paper
    ​ Ion-molecule kinetics at 15-700 Torr
    Viggiano, A. A.; Fernandez, A. I. & Troe, J. (2005)
    Physical Chemistry Chemical Physics7(7) pp. 1533-1539. 85th International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, Marburg, GERMANY.
    Cambridge: Royal Soc Chemistry.
    Details  DOI  PMID  PMC  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 Physics6(9) pp. 1997-1999.​
    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 Physics6(10) pp. 2885-2890.​
    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 Physics6(5) pp. 955-959.​
    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 Physics6(19) pp. 4614-4620. 3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates, Kassel, GERMANY.
    Cambridge: Royal Soc Chemistry.
    Details  DOI  WoS 
  • 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 Physics6(19) pp. 4652-4657. 3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates, Kassel, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics6(19) pp. 4630-4635. 3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates, Kassel, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics6(19) pp. 4642-4651. 3rd Workshop on Spectroscopy and Dynamics of Molecular Coils and Aggregates, Kassel, GERMANY.
    Cambridge: Royal Soc Chemistry.
    Details  DOI  WoS 
  • 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 Physics6(24) pp. 5441-5455.​
    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 Physics6(21) pp. 4917-4920.​
    Details  DOI  WoS 
  • 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 Physics6(13) pp. 3315-3319.​
    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 Physics6(14) pp. 3824-3835.​
    Details  DOI  WoS 
  • 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 Physics6(16) pp. 4133-4141.​
    Details  DOI  WoS 
  • 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 Physics6(1) pp. 46-50.​
    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 Physics6(21) pp. 4939-4949.​
    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 Physics5(14) pp. 2931-2933.​
    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 Physics5(24) pp. 5467-5471. 80th International Bunsen Discussion Meeting on Dynamics of Molecular Phenomena in Supercritical Fluids, TUTZING, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics5(13) pp. 2770-2773.​
    Details  DOI  WoS 
  • 2003 Journal Article
    ​ Spectroscopic properties of interstellar molecules: Theory and experiment
    Botschwina, P. (2003) 
    Physical Chemistry Chemical Physics5(16) pp. 3337-3348.​
    Details  DOI  WoS 
  • 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 Physics5(6) pp. 1198-1204.​
    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 Physics5(7) pp. 1365-1369.​
    Details  DOI  WoS 
  • 2003 Journal Article
    ​ A chemical approach towards the spectroscopy of carboxylic acid dimer isomerism
    Emmeluth, C. & Suhm, M. A.  (2003) 
    Physical Chemistry Chemical Physics5(15) pp. 3094-3099.​
    Details  DOI  WoS 
  • 2003 Journal Article
    ​ Decarboxylation of carbonyloxy radicals: a density functional study
    Kling, M. & Schmatz, S. (2003) 
    Physical Chemistry Chemical Physics5(18) pp. 3891-3896.​
    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 Physics5(19) pp. 4090-4095.​
    Details  DOI  WoS 
  • 2002 Journal Article
    ​ Glycidol dimer: anatomy of a molecular handshake
    Borho, N. & Suhm, M. A.  (2002) 
    Physical Chemistry Chemical Physics4(12) pp. 2721-2732.​
    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 Physics4(11) pp. 2011-2018. 77th International Bunsen Discussion Meeting of the Deutsche-Bunsengesellschaft-fur-Physikalische-Chemie, BAD HERRENALB, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics4(19) pp. 4809-4816.​
    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 Physics4(18) pp. 4392-4398.​
    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 Physics4(16) pp. 3933-3937.​
    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 Physics4(14) pp. 3179-3184. 79th International Bunsen Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, MUNSTER, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics4(14) pp. 3330-3340.​
    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 Physics3(11) pp. 1965-1972.​
    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 Physics3(12) pp. 2230-2240. International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, GOTTINGEN, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics3(12) pp. 2191-2202. International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, GOTTINGEN, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics3(17) pp. 3742-3749.​
    Details  DOI  WoS 
  • 2001 Journal Article
    ​ 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 Physics3(12).​
    Details  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 Physics3(12) pp. 2365-2371. International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, GOTTINGEN, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics3(11) pp. 1945-1948.​
    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 Physics3(12) pp. 2296-2305. International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, GOTTINGEN, GERMANY.
    Cambridge: Royal Soc Chemistry.
    Details  DOI  WoS 
  • 2001 Journal Article
    ​ 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 Physics3(13) pp. 2630-2631.​
    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 Physics3(12) pp. 2275-2281. International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, GOTTINGEN, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics3(12) pp. 2315-2324. International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, GOTTINGEN, GERMANY.
    Cambridge: Royal Soc Chemistry.
    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 Physics2(10) pp. 2239-2244.​
    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 Physics2(22) pp. 5127-5132.​
    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 Physics2(4) pp. 631-642.​
    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 Physics2(22) pp. 5098-5104.​
    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 Physics2(10) pp. 2251-2259.​
    Details  DOI  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 Physics2(16) pp. 3555-3563.​
    Details  DOI  WoS 
  • 2000 Journal Article
    ​ Interaction of melittin with solid supported membranes
    Steinem, C. ; Galla, H.-J. & Janshoff, A.  (2000) 
    Physical Chemistry Chemical Physics2(20) pp. 4580-4585.​
    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 Physics1(24) pp. 5573-5582.​
    Details  DOI 

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