Physical Chemistry, Chemical Physics

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  • 2023 | Journal Article | 
    ​ ​Perspectives on weak interactions in complex materials at different length scales​
    Fiedler, J.; Berland, K.; Borchert, J. W.; Corkery, R. W.; Eisfeld, A.; Gelbwaser-Klimovsky, D. & Greve, M. M. et al.​ (2023) 
    Physical Chemistry Chemical Physics, 25(4) pp. 2671​-2705​.​ DOI: https://doi.org/10.1039/D2CP03349F 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Maturation of amyloid β fibrils alters their molecular stability​
    Becker, S.; Giller, K.; Sieme, D. & Rezaei-Ghaleh, N.​ (2023) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D3CP01276J 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Machine learning transferable atomic forces for large systems from underconverged molecular fragments​
    Herbold, M. & Behler, J.​ (2023) 
    Physical Chemistry Chemical Physics, 25(18) pp. 12979​-12989​.​ DOI: https://doi.org/10.1039/D2CP05976B 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Hierarchical analysis of the target-based scoring function modification for the example of selected class A GPCRs​
    Rzęsikowska, K.; Kalinowska-Tłuścik, J. & Krawczuk, A.​ (2023) 
    Physical Chemistry Chemical Physics, 25(4) pp. 3513​-3520​.​ DOI: https://doi.org/10.1039/D2CP04671G 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Subtle hydrogen bond preference and dual Franck–Condon activity – the interesting pairing of 2-naphthol with anisole​
    Nejad, A.; Pérez Mellor, A. F.; Lange, M.; Alata, I.; Zehnacker, A. & Suhm, M. A.​ (2023) 
    Physical Chemistry Chemical Physics, 25(15) pp. 10427​-10439​.​ DOI: https://doi.org/10.1039/D3CP00160A 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Hydrogen sharing between two nitroxyl radicals in the gas phase and other microsolvation effects on the infrared spectrum of a bulky hydroxylamine​
    Fischer, T. L.; Tepaske, M. A. & Suhm, M. A.​ (2023) 
    Physical Chemistry, Chemical Physics, 25(16) pp. 11324​-11330​.​ DOI: https://doi.org/10.1039/D3CP01156A 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Raising the benchmark potential of a simple alcohol-ketone intermolecular balance​
    Zimmermann, C.; Dorst, A. C.   & Suhm, M. A.​ (2023) 
    Physical Chemistry Chemical Physics, 25(1) pp. 384​-391​.​ DOI: https://doi.org/10.1039/D2CP05141A 
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  • 2023 | Journal Article | 
    ​ ​Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions​
    Dohmen, R.; Fedosov, D. & Obenchain, D. A.​ (2023) 
    Physical Chemistry Chemical Physics, 25(3) pp. 2420​-2429​.​ DOI: https://doi.org/10.1039/D2CP04067K 
    ​Details  DOI 
  • 2023 | Journal Article | 
    ​ ​Large 31 P-NMR enhancements in liquid state dynamic nuclear polarization through radical/target molecule non-covalent interaction​
    Reinhard, M.; Levien, M.; Bennati, M. & Orlando, T.​ (2023) 
    Physical Chemistry Chemical Physics, 25(1) pp. 822​-828​.​ DOI: https://doi.org/10.1039/D2CP04092A 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​The Kinetic Energy of PAH Dication and Trication Dissociation Determined by Recoil-Frame Covariance Map Imaging​
    Lee, J. W. L.; Tikhonov, D. S.; Allum, F.; Boll, R.; Chopra, P.; Erk, B. & Gruet, S. et al.​ (2022) 
    Physical Chemistry, Chemical Physics, 24(38) pp. 23096​-23105​.​ DOI: https://doi.org/10.1039/D2CP02252D 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Coupled proton vibrations between two weak acids: the hinge complex between formic acid and trifluoroethanol​
    Schweer, S. M.; Nejad, A. & Suhm, M. A.​ (2022) 
    Physical Chemistry Chemical Physics, 24(43) pp. 26449​-26457​.​ DOI: https://doi.org/10.1039/D2CP04176F 
    ​Details  DOI 
  • 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 Physics, 24(10) pp. 6169​-6175​.​ DOI: https://doi.org/10.1039/D2CP00042C 
    ​Details  DOI 
  • 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 Physics, 24(5) pp. 2758​-2761​.​ DOI: https://doi.org/10.1039/D1CP05468F 
    ​Details  DOI 
  • 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,.​ DOI: https://doi.org/10.1039/D1CP04337D 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Benchmark of a functional-group database for distributed polarizability and dipole moment in biomolecules​
    Ligorio, R. F.; Rodrigues, J. L.; Zuev, A.; Dos Santos, L. H. R. & Krawczuk, A.​ (2022) 
    Physical Chemistry Chemical Physics, 24(48) pp. 29495​-29504​.​ DOI: https://doi.org/10.1039/D2CP04052B 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Sniffing out camphor: the fine balance between hydrogen bonding and London dispersion in the chirality recognition with α-fenchol​
    Quesada-Moreno, M. M.; Fatima, M.; Medel, R.; Pérez, C. & Schnell, M.​ (2022) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D2CP00308B 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Setting up the HyDRA blind challenge for the microhydration of organic molecules​
    Fischer, T. L.; Bödecker, M.; Zehnacker-Rentien, A.; Mata, R. A.   & Suhm, M. A. ​ (2022) 
    Physical Chemistry, Chemical Physics, 24(19) pp. 11442​-11454​.​ DOI: https://doi.org/10.1039/D2CP01119K 
    ​Details  DOI 
  • 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 Physics, 24(8) pp. 5001​-5013​.​ DOI: https://doi.org/10.1039/D1CP04580F 
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  • 2022 | Journal Article | 
    ​ ​High-dimensional neural network potentials for accurate vibrational frequencies: the formic acid dimer benchmark​
    Shanavas Rasheeda, D.; Martín Santa Daría, A.; Schröder, B.; Mátyus, E. & Behler, J.​ (2022) 
    Physical Chemistry Chemical Physics, 24(48) pp. 29381​-29392​.​ DOI: https://doi.org/10.1039/D2CP03893E 
    ​Details  DOI 
  • 2022 | Journal Article | Research Paper | 
    ​ ​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 Physics, 24(15) pp. 8738​-8748​.​ DOI: https://doi.org/10.1039/D2CP00087C 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​A semiempirical potential for alkali halide diatoms with damped interactions I. Rittner potential​
    Sheng, X.; Tang, K. T. & Toennies, J. P. ​ (2022) 
    Physical Chemistry Chemical Physics, 24(40) pp. 24823​-24833​.​ DOI: https://doi.org/10.1039/D2CP03405K 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Velocity map images of desorbing oxygen from sub-surface states of Rh(111)​
    Dorst, A. C. ; Güthoff, F.; Schauermann, D.; Wodtke, A. M. ; Killelea, D. R. & Schäfer, T.​ (2022) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D2CP03369K 
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  • 2022 | Journal Article | 
    ​ ​New trends and challenges in surface phenomena, carbon nanostructures and helium droplets – Festschrift for Giorgio Benedek​
    Bernasconi, M.; Muiño, R. D.; Echenique, P. M.; Manson, J. R.; Miret-Artés, S. & Toennies, J. P. ​ (2022) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D2CP90196J 
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  • 2022 | Journal Article | 
    ​ ​Giorgio Benedek: an extraordinary scientist and cultured gentleman​
    Bernasconi, M.; Díez Muiño, R.; Echenique, P. M.; Manson, J. R.; Miret-Artés, S. & Toennies, J. P. ​ (2022) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D2CP90197H 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.​
    Martin-Barrios, R.; Hertl, N.; Galparsoro, O.; Kandratsenka, A.; Wodtke, A. M.   & Larrégaray, P.​ (2022) 
    Physical Chemistry Chemical Physics,.​ DOI: https://doi.org/10.1039/D2CP01850K 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​Subtle hydrogen bonds: benchmarking with OH stretching fundamentals of vicinal diols in the gas phase​
    Hartwig, B. & Suhm, M. A. ​ (2021) 
    Physical Chemistry, Chemical Physics, 23(38) pp. 21623​-21640​.​ DOI: https://doi.org/10.1039/D1CP03367K 
    ​Details  DOI 
  • 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 Physics, 23(9) pp. 5629​-5643​.​ DOI: https://doi.org/10.1039/D1CP00342A 
    ​Details  DOI 
  • 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 Physics, 23(46) pp. 26349​-26355​.​ DOI: https://doi.org/10.1039/D1CP04483D 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​Understanding dispersion interactions in molecular chemistry​
    Janek, J.; Schreiner, P. R. & Suhm, M. A.​ (2021) 
    Physical Chemistry Chemical Physics, 23(15) pp. 8960​-8961​.​ DOI: https://doi.org/10.1039/D0CP90285C 
    ​Details  DOI 
  • 2021 | Journal Article | 
    ​ ​CC-stretched formic acid: isomerisation, dimerisation, and carboxylic acid complexation​
    Meyer, K. A. E. & Nejad, A.​ (2021) 
    Physical Chemistry Chemical Physics, 23(32) pp. 17208​-17223​.​ DOI: https://doi.org/10.1039/D1CP02700J 
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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 Physics, 23(32) pp. 17591​-17605​.​ DOI: https://doi.org/10.1039/D1CP02115J 
    ​Details  DOI 
  • 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 Physics, 23(13) pp. 7822​-7829​.​ DOI: https://doi.org/10.1039/D0CP05365A 
    ​Details  DOI 
  • 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 Physics, 23(13) pp. 7682​-7695​.​ DOI: https://doi.org/10.1039/D0CP05390B 
    ​Details  DOI 
  • 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 Physics, 23(41) pp. 23610​-23624​.​ DOI: https://doi.org/10.1039/D1CP03508H 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​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 Physics, 23(27) pp. 14845​-14856​.​ DOI: https://doi.org/10.1039/D1CP01490K 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​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 Physics, 23(42) pp. 24211​-24221​.​ DOI: https://doi.org/10.1039/D1CP02468J 
    ​Details  DOI 
  • 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 Physics, 23(39) pp. 22437​-22442​.​ DOI: https://doi.org/10.1039/D1CP03298D 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper | 
    ​ ​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 Physics, 22(45) pp. 26113​-26120​.​ DOI: https://doi.org/10.1039/d0cp03462b 
    ​Details  DOI 
  • 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 Physics, 22(5) pp. 2870​-2877​.​ DOI: https://doi.org/10.1039/C9CP06128B 
    ​Details  DOI 
  • 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 Physics, 22(38) pp. 21707​-21730​.​ DOI: https://doi.org/10.1039/D0CP03105D 
    ​Details  DOI 
  • 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 Physics, 22(3) pp. 1122​-1136​.​ DOI: https://doi.org/10.1039/c9cp04943f 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​2-Methoxyethanol: harmonic tricks, anharmonic challenges and chirality-sensitive chain aggregation​
    Gawrilow, M. & Suhm, M. A. ​ (2020) 
    Physical Chemistry, Chemical Physics, 22(27) pp. 15303​-15311​.​ DOI: https://doi.org/10.1039/d0cp02488k 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Absorption spectra at the iodine 3d ionisation threshold following the CHxI+ (x = 0–3) cation sequence​
    Schubert, K.; Guda, A. A.; Mertens, K.; Schunck, J. O.; Schippers, S.; Müller, A. & Bari, S. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(45) pp. 25415​-25424​.​ DOI: https://doi.org/10.1039/C9CP04640B 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds​
    Oswald, S. & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(35) pp. 18799​-18810​.​ DOI: https://doi.org/10.1039/C9CP03651B 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study​
    Oswald, S.; Suhm, M. A.   & Coussan, S.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(3) pp. 1277​-1284​.​ DOI: https://doi.org/10.1039/C8CP07053A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study​
    Forsting, T.; Zischang, J.; Suhm, M. A. ; Eckhoff, M.; Schröder, B.   & Mata, R. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(11) pp. 5989​-5998​.​ DOI: https://doi.org/10.1039/C9CP00399A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3)​
    Bari, S.; Inhester, L.; Schubert, K.; Mertens, K.; Schunck, J. O.; Dörner, S. & Deinert, S. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(30) pp. 16505​-16514​.​ DOI: https://doi.org/10.1039/C9CP02864A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Electron transfer mediates vibrational relaxation of CO in collisions with Ag(111)​
    Wagner, R. J. V.; Krüger, B. C.; Park, G. B.; Wallrabe, M.; Wodtke, A. M. & Schäfer, T.​ (2019) 
    Physical Chemistry Chemical Physics, 21(4) pp. 1650​-1655​.​ DOI: https://doi.org/10.1039/C8CP06041J 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Phenylacetylene as a gas phase sliding balance for solvating alcohols​
    Karir, G.; Lüttschwager, N. O. B.   & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(15) pp. 7831​-7840​.​ DOI: https://doi.org/10.1039/C9CP00435A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry​
    Li, J.; Song, K. & Behler, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(19) pp. 9672​-9682​.​ DOI: https://doi.org/10.1039/C8CP06919K 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water​
    Bernhard, D.; Fatima, M.; Poblotzki, A.; Steber, A. L.; Pérez, C.; Suhm, M. A.   & Schnell, M.  et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(29) pp. 16032​-16046​.​ DOI: https://doi.org/10.1039/C9CP02635E 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Falloff curves and mechanism of thermal decomposition of CF 3 I in shock waves​
    Cobos, C. J.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(43) pp. 23893​-23899​.​ DOI: https://doi.org/10.1039/C9CP04771A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Shiga toxin binding alters lipid packing and the domain structure of Gb 3 -containing membranes: a solid-state NMR study​
    Bosse, M.; Sibold, J. ; Scheidt, H. A.; Patalag, L. J.; Kettelhoit, K.; Ries, A.   & Werz, D. B. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(28) pp. 15630​-15638​.​ DOI: https://doi.org/10.1039/C9CP02501D 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Shock wave and modelling study of the dissociation pathways of (C 2 F 5 ) 3 N​
    Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A. & Troe, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(19) pp. 9785​-9792​.​ DOI: https://doi.org/10.1039/C9CP01142K 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Production of highly concentrated and hyperpolarized metabolites within seconds in high and low magnetic fields​
    Korchak, S.; Emondts, M.; Mamone, S.; Blümich, B. & Glöggler, S.​ (2019) 
    Physical Chemistry Chemical Physics, 21(41) pp. 22849​-22856​.​ DOI: https://doi.org/10.1039/C9CP05227E 
    ​Details  DOI  PMID  PMC 
  • 2017 | Journal Article | 
    ​ ​Photo-induced radical polarization and liquid-state dynamic nuclear polarization using fullerene nitroxide derivatives​
    Liu, G.; Liou, S.-H.; Enkin, N.; Tkach, I. & Bennati, M. ​ (2017) 
    Physical Chemistry, Chemical Physics, 19(47) pp. 31823​-31829​.​ DOI: https://doi.org/10.1039/C7CP06073D 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​An axis-specific rotational rainbow in the direct scatter of formaldehyde from Au(111) and its influence on trapping probability​
    Park, G. B.; Krüger, B. C.; Meyer, S.; Kandratsenka, A.; Wodtke, A. M. & Schäfer, T.​ (2017) 
    Physical Chemistry Chemical Physics, 19(30) pp. 19904​-19915​.​ DOI: https://doi.org/10.1039/C7CP03922K 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state​
    Bernhard, D.; Dietrich, F.; Fatima, M.; Perez, C.; Poblotzki, A.; Jansen, G. & Suhm, M. A.  et al.​ (2017) 
    Physical Chemistry, Chemical Physics, 19(27) pp. 18076​-18088​.​ DOI: https://doi.org/10.1039/C7CP02967E 
    ​Details  DOI 
  • 2017 | Journal Article | 
    ​ ​Correcting the record: the dimers and trimers of trans-N-methylacetamide​
    Forsting, T.; Gottschalk, H. C.; Hartwig, B.; Mons, M. & Suhm, M. A.​ (2017) 
    Physical Chemistry Chemical Physics, 19(17) pp. 10727​-10737​.​ DOI: https://doi.org/10.1039/C6CP07989J 
    ​Details  DOI  PMID  PMC  WoS 
  • 2016 | Journal Article | Research Paper | 
    ​ ​Intramolecular structure and energetics in supercooled water down to 255 K​
    Lehmkühler, F.; Forov, Y.; Büning, T.; Sahle, C. J.; Steinke, I.; Julius, K. & Buslaps, T. et al.​ (2016) 
    Physical Chemistry, Chemical Physics, 18(9) pp. 6925​-6930​.​ DOI: https://doi.org/10.1039/C5CP07721D 
    ​Details  DOI 
  • 2016 | Journal Article | 
    ​ ​Reaction cross sections and thermal rate constant for Cl− + CH 3 Br → ClCH 3+ Br− from J-dependent quantum scattering calculations​
    Hennig, C. & Schmatz, S.​ (2016) 
    Physical Chemistry Chemical Physics, 18(29) pp. 19668​-19675​.​ DOI: https://doi.org/10.1039/C6CP02799G 
    ​Details  DOI  PMID  PMC  WoS 
  • 2016 | Journal Article | 
    ​ ​Correlating structure and electronic band-edge properties in organolead halide perovskites nanoparticles​
    Zhu, Q.; Zheng, K.; Abdellah, M.; Generalov, A.; Haase, D.; Carlson, S. & Niu, Y. et al.​ (2016) 
    Physical Chemistry Chemical Physics, 18(22) pp. 14933​-14940​.​ DOI: https://doi.org/10.1039/C6CP01843B 
    ​Details  DOI 
  • 2016 | Journal Article | Research Paper | 
    ​ ​In situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy​
    Sahle, C. J.; Kujawski, S.; Remhof, A.; Yan, Y.; Stadie, N. P.; Al-Zein, A. & Tolan, M.  et al.​ (2016) 
    Physical Chemistry, Chemical Physics, 18(7) pp. 5397​-5403​.​ DOI: https://doi.org/10.1039/C5CP06571B 
    ​Details  DOI 
  • 2016 | Journal Article | 
    ​ ​Final rotational state distributions from NO(v(i)=11) in collisions with Au(111): the magnitude of vibrational energy transfer depends on orientation in molecule-surface collisions​
    Krueger, B. C.; Bartels, N.; Wodtke, A. M. & Schaefer, T.​ (2016) 
    Physical Chemistry Chemical Physics, 18(22) pp. 14976​-14979​.​ DOI: https://doi.org/10.1039/c6cp02100j 
    ​Details  DOI  PMID  PMC  WoS 
  • 2016 | Journal Article | 
    ​ ​Subtle solvation behaviour of a biofuel additive: the methanol complex with 2,5-dimethylfuran​
    Poblotzki, A.; Altnöder, J. & Suhm, M. A.​ (2016) 
    Physical Chemistry Chemical Physics, 18(39) pp. 27265​-27271​.​ DOI: https://doi.org/10.1039/c6cp05413g 
    ​Details  DOI  PMID  PMC  WoS 
  • 2016 | Journal Article | 
    ​ ​A 1+1 ' resonance-enhanced multiphoton ionization scheme for rotationally state-selective detection of formaldehyde via the (A)over-tilde (1)A(2) <- (X)over-tilde (1)A(1) transition​
    Park, G. B.; Krueger, B. C.; Meyer, S.; Wodtke, A. M. & Schaefer, T.​ (2016) 
    Physical Chemistry Chemical Physics, 18(32) pp. 22355​-22363​.​ DOI: https://doi.org/10.1039/c6cp03833f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2016 | Journal Article | 
    ​ ​The donor OH stretching-libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices​
    Heger, M.; Andersen, J. M.; Suhm, M. A.   & Larsen, R. W.​ (2016) 
    Physical Chemistry Chemical Physics, 18(5) pp. 3739​-3745​.​ DOI: https://doi.org/10.1039/c5cp07387a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol.​
    Heger, M.; Otto, K. E.; Mata, R. A.   & Suhm, M. A. ​ (2015) 
    Physical Chemistry, Chemical Physics, 17(15) pp. 9899​-9909​.​ DOI: https://doi.org/10.1039/c4cp05868b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | Research Paper | 
    ​ ​To π or not to π – how does methanol dock onto anisole?​
    Heger, M.; Suhm, M. A. ; Altnöder, J. & Poblotzki, A.​ (2015) 
    Physical Chemistry, Chemical Physics, 17(19) pp. 13045​-13052​.​ DOI: https://doi.org/10.1039/C5CP01545F 
    ​Details  DOI 
  • 2015 | Journal Article | 
    ​ ​Adsorbate enhancement of electron emission during the quenching of metastable CO at metal surfaces​
    Engelhart, D. P.; Wagner, R. J. V.; Johnsen, P. C.; Wodtke, A. M. & Schaefer, T.​ (2015) 
    Physical Chemistry Chemical Physics, 17(17) pp. 11540​-11545​.​ DOI: https://doi.org/10.1039/c5cp01255d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​Collisional relaxation of apocarotenals: identifying the S state with vibrationally excited molecules in the ground electronic state S-0 ​
    Ehlers, F.; Scholz, M.; Schimpfhauser, J.; Bienert, J.; Oum, K. & Lenzer, T.​ (2015) 
    Physical Chemistry Chemical Physics, 17(16) pp. 10478​-10488​.​ DOI: https://doi.org/10.1039/c4cp05600k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​The optical properties and quantum chemical calculations of thienyl and furyl derivatives of pyrene​
    Idzik, K. R.; Cywinski, P. J.; Kuznik, W.; Frydel, J.; Licha, T. & Ratajczyk, T.​ (2015) 
    Physical Chemistry Chemical Physics, 17(35) pp. 22758​-22769​.​ DOI: https://doi.org/10.1039/c5cp03013g 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​Mechanisms of S(N)2 reactions: insights from a nearside/farside analysis​
    Hennig, C. & Schmatz, S.​ (2015) 
    Physical Chemistry Chemical Physics, 17(40) pp. 26670​-26676​.​ DOI: https://doi.org/10.1039/c5cp04312c 
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  • 2015 | Journal Article | 
    ​ ​Photoluminescence of a single quantum emitter in a strongly inhomogeneous chemical environment​
    Chizhik, A. M.; Tarpani, L.; Latterini, L.; Gregor, I.; Enderlein, J.   & Chizhik, A. I.​ (2015) 
    Physical Chemistry Chemical Physics, 17(22) pp. 14994​-15000​.​ DOI: https://doi.org/10.1039/c5cp01371b 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | 
    ​ ​To pi or not to pi - how does methanol dock onto anisole?​
    Heger, M.; Altnoeder, J.; Poblotzki, A. & Suhm, M. A. ​ (2015) 
    Physical Chemistry Chemical Physics, 17(19) pp. 13045​-13052​.​ DOI: https://doi.org/10.1039/c5cp01545f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | 
    ​ ​Vibrational spectra and structures of SinC clusters (n=3-8)​
    Nguyen Xuan Truong, N. X. T.; Savoca, M.; Harding, D. J.; Fielicke, A. & Dopfer, O.​ (2015) 
    Physical Chemistry Chemical Physics, 17(29) pp. 18961​-18970​.​ DOI: https://doi.org/10.1039/c5cp02588e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2014 | Journal Article | 
    ​ ​High DNP efficiency of TEMPONE radicals in liquid toluene at low concentrations​
    Enkin, N.; Liu, G.; Tkach, I. & Bennati, M. ​ (2014) 
    Physical Chemistry, Chemical Physics, 16(19) pp. 8795​-8800​.​ DOI: https://doi.org/10.1039/C4CP00854E 
    ​Details  DOI 
  • 2014 | Journal Article | 
    ​ ​SERS spectroscopic evidence for the integrity of surface-deposited self-assembled coordination cages​
    Frank, M.; Funke, S.; Wackerbarth, H. & Clever, G. H.​ (2014) 
    Physical Chemistry Chemical Physics, 16(40) pp. 21930​-21935​.​ DOI: https://doi.org/10.1039/c4cp02188f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2014 | Journal Article | 
    ​ ​Enhanced sensitivity of electron-nuclear double resonance (ENDOR) by cross polarisation and relaxation​
    Rizzato, R. & Bennati, M. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(17) pp. 7681​-7685​.​ DOI: https://doi.org/10.1039/c3cp55395g 
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  • 2014 | Journal Article | 
    ​ ​A size resolved investigation of large water clusters​
    Buck, U.; Pradzynski, C. C.; Zeuch, T.; Dieterich, J. M. & Hartke, B.​ (2014) 
    Physical Chemistry Chemical Physics, 16(15) pp. 6859​-6871​.​ DOI: https://doi.org/10.1039/c3cp55185g 
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  • 2014 | Journal Article | 
    ​ ​The Raman spectrum of isolated water clusters​
    Otto, K. E.; Xue, Z.; Zielke, P. & Suhm, M. A. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(21) pp. 9849​-9858​.​ DOI: https://doi.org/10.1039/c3cp54272f 
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  • 2014 | Journal Article | 
    ​ ​Infrared detection of (H2O)(20) isomers of exceptional stability: a drop-like and a face-sharing pentagonal prism cluster​
    Pradzynski, C. C.; Dierking, C. W.; Zurheide, F.; Forck, R. M.; Buck, U.; Zeuch, T. & Xantheas, S. S.​ (2014) 
    Physical Chemistry Chemical Physics, 16(48) pp. 26691​-26696​.​ DOI: https://doi.org/10.1039/c4cp03642e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2014 | Journal Article | 
    ​ ​Alcohol dimers - how much diagonal OH anharmonicity?​
    Kollipost, F.; Papendorf, K.; Lee, Y.-F.; Lee, Y.-P. & Suhm, M. A. ​ (2014) 
    Physical Chemistry Chemical Physics, 16(30) pp. 15948​-15956​.​ DOI: https://doi.org/10.1039/c4cp01418a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2014 | Journal Article | 
    ​ ​Incidence energy dependent state-to-state time-of-flight measurements of NO(v=3) collisions with Au(111): the fate of incidence vibrational and translational energy​
    Golibrzuch, K.; Shirhatti, P. R.; Rahinov, I.; Auerbach, D. J.; Wodtke, A. M. & Bartels, C.​ (2014) 
    Physical Chemistry Chemical Physics, 16(16) pp. 7602​-7610​.​ DOI: https://doi.org/10.1039/c3cp55224a 
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  • 2013 | Journal Article | 
    ​ ​Vibrational enhancement of electron emission in CO (a(3)Pi) quenching at a clean metal surface​
    Graetz, F.; Engelhart, D. P.; Wagner, R. J. V.; Haak, H.; Meijer, G.; Wodtke, A. M. & Schaefer, T.​ (2013) 
    Physical Chemistry Chemical Physics, 15(36) pp. 14951​-14955​.​ DOI: https://doi.org/10.1039/c3cp52468j 
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  • 2013 | Journal Article | 
    ​ ​Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (+/-)-1-indanol clusters​
    Altnoeder, J.; Bouchet, A.; Lee, J. J.; Otto, K. E.; Suhm, M. A.   & Zehnacker-Rentien, A.​ (2013) 
    Physical Chemistry Chemical Physics, 15(25) pp. 10167​-10180​.​ DOI: https://doi.org/10.1039/c3cp50708d 
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  • 2013 | Journal Article | 
    ​ ​Femtisecond single-mole infrared spectroscopy of molecular clusters​
    Suhm, M. A.   & Kollipost, F.​ (2013) 
    Physical Chemistry Chemical Physics, 15(26) pp. 10702​-10721​.​ DOI: https://doi.org/10.1039/c3cp51515j 
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  • 2013 | Journal Article | 
    ​ ​Ultra-slow dynamics in low density amorphous ice revealed by deuteron NMR: indication of a glass transition​
    Loew, F.; Amann-Winkel, K.; Loerting, T.; Fujara, F. & Geil, B. ​ (2013) 
    Physical Chemistry Chemical Physics, 15(23) pp. 9308​-9314​.​ DOI: https://doi.org/10.1039/c3cp50818h 
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  • 2013 | Journal Article | 
    ​ ​Small-angle water reorientations in KOH doped hexagonal ice and clathrate hydrates​
    Nelson, H.; Schildmann, S.; Nowaczyk, A.; Gainaru, C.; Geil, B.   & Boehmer, R.​ (2013) 
    Physical Chemistry Chemical Physics, 15(17) pp. 6355​-6367​.​ DOI: https://doi.org/10.1039/c3cp00139c 
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  • 2013 | Journal Article | 
    ​ ​Limits of metastability in amorphous ices: H-2-NMR relaxation​
    Loew, F.; Amann-Winkel, K.; Geil, B. ; Loerting, T.; Wittich, C. & Fujara, F.​ (2013) 
    Physical Chemistry Chemical Physics, 15(2) pp. 576​-580​.​ DOI: https://doi.org/10.1039/c2cp43543h 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article | 
    ​ ​From hydrogen bond donor to acceptor: the effect of ethanol fluorination on the first solvating water molecule​
    Heger, M.; Scharge, T. & Suhm, M. A. ​ (2013) 
    Physical Chemistry Chemical Physics, 15(38) pp. 16065​-16073​.​ DOI: https://doi.org/10.1039/c3cp53115e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article | 
    ​ ​Rovibrational states of ClHCl- isotopologues up to high J: a joint theoretical and spectroscopic investigation​
    Sebald, P.; Oswald, R. B.; Botschwina, P. & Kawaguchi, K.​ (2013) 
    Physical Chemistry Chemical Physics, 15(18) pp. 6737​-6748​.​ DOI: https://doi.org/10.1039/c3cp44236e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article | 
    ​ ​Heteroaromaticity approached by charge density investigations and electronic structure calculations​
    Hey, J.; Leusser, D.; Kratzert, D.; Fliegl, H.; Dieterich, J. M.; Mata, R. A.   & Stalke, D. ​ (2013) 
    Physical Chemistry, Chemical Physics, 15(47) pp. 20600​-20610​.​ DOI: https://doi.org/10.1039/c3cp53756k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article | 
    ​ ​Orientation selection in distance measurements between nitroxide spin labels at 94 GHz EPR with variable dual frequency irradiation​
    Tkach, I.; Pornsuwan, S. ; Höbartner, C. ; Wachowius, F.; Sigurdsson, S. T.; Baranova, T. Y. & Diederichsen, U.  et al.​ (2013) 
    Physical Chemistry Chemical Physics, 15(10) pp. 3433​-3437​.​ DOI: https://doi.org/10.1039/c3cp44415e 
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  • 2013 | Journal Article
    ​ ​Study of ligand effects in aurophilic interactions using local correlation methods​
    Andrejic, M. & Mata, R. A. ​ (2013) 
    Physical Chemistry, Chemical Physics, 15(41) pp. 18115​-18122​.​ DOI: https://doi.org/10.1039/c3cp52931b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2013 | Journal Article | 
    ​ ​Observation of direct vibrational excitation in gas-surface collisions of CO with Au(111): a new model system for surface dynamics​
    Schaefer, T.; Bartels, N.; Golibrzuch, K.; Bartels, C.; Koeckert, H.; Auerbach, D. J. & Kitsopoulos, T. N.  et al.​ (2013) 
    Physical Chemistry Chemical Physics, 15(6) pp. 1863​-1867​.​ DOI: https://doi.org/10.1039/c2cp43351f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Ultrafast dynamics of the indoline dye D149 on electrodeposited ZnO and sintered ZrO2 and TiO2 thin films.​
    Oum, K.; Lohse, P. W.; Flender, O.; Klein, J. R.; Scholz, M.; Lenzer, T. & Du, J. et al.​ (2012) 
    Physical Chemistry, Chemical Physics, 14(44) pp. 15429​-15437​.​ DOI: https://doi.org/10.1039/c2cp42961f 
    ​Details  DOI  PMID  PMC 
  • 2012 | Journal Article | 
    ​ ​Sulfur dioxide oxidation induced mechanistic branching and particle formation during the ozonolysis of beta-pinene and 2-butene​
    Carlsson, P. T. M.; Keunecke, C.; Krueger, B. C. ; Maass, M. C.   & Zeuch, T.​ (2012) 
    Physical Chemistry Chemical Physics, 14(45) pp. 15637​-15640​.​ DOI: https://doi.org/10.1039/c2cp42992f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Vibrational energy relaxation of the ND-stretching vibration of NH2D in liquid NH3​
    Schaefer, T.; Kandratsenka, A.; Voehringer, P.; Schroeder, J. & Schwarzer, D.​ (2012) 
    Physical Chemistry Chemical Physics, 14(33) pp. 11651​-11656​.​ DOI: https://doi.org/10.1039/c2cp41382e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Differential reaction cross sections from rotationally resolved quantum scattering calculations: application to gas-phase S(N)2 reactions​
    Hennig, C. & Schmatz, S.​ (2012) 
    Physical Chemistry Chemical Physics, 14(37) pp. 12982​-12991​.​ DOI: https://doi.org/10.1039/c2cp41141e 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Dielectric relaxation and ultrafast transient absorption spectroscopy of [C(6)mim](+)[Tf2N](-)/acetonitrile mixtures​
    Lohse, P. W.; Bartels, N.; Stoppa, A.; Buchner, R.; Lenzer, T. & Oum, K.​ (2012) 
    Physical Chemistry Chemical Physics, 14(10) pp. 3596​-3603​.​ DOI: https://doi.org/10.1039/c2cp23704k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Membrane lateral structure: the influence of immobilized particles on domain size​
    Fischer, T.; Risselada, H. J. & Vink, R. L. C.​ (2012) 
    Physical Chemistry Chemical Physics, 14(42) pp. 14500​-14508​.​ DOI: https://doi.org/10.1039/c2cp41417a 
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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 Physics, 14(33) pp. 11695​-11705​.​ DOI: https://doi.org/10.1039/c2cp40714k 
    ​Details  DOI  PMID  PMC  WoS 
  • 2012 | Journal Article | 
    ​ ​Limits of metastability in amorphous ices: the neutron scattering Debye-Waller factor​
    Amann-Winkel, K.; Loew, F.; Handle, P. H.; Knoll, W.; Peters, J.; Geil, B.   & Fujara, F. et al.​ (2012) 
    Physical Chemistry Chemical Physics, 14(47) pp. 16386​-16391​.​ DOI: https://doi.org/10.1039/c2cp42797d 
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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 Physics, 14(27) pp. 9606​-9614​.​ DOI: https://doi.org/10.1039/c2cp40598a 
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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 Physics, 14(18) pp. 6469​-6478​.​ DOI: https://doi.org/10.1039/c2cp40379j 
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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 Physics, 14(37) pp. 12746​-12749​.​ DOI: https://doi.org/10.1039/c2cp41793f 
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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 Physics, 14(25) pp. 9054​-9057​.​ DOI: https://doi.org/10.1039/c2cp41066d 
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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 Physics, 13 pp. 97​-99​.​ DOI: https://doi.org/10.1039/COCPO1626H 
    ​Details  DOI 
  • 2011 | Journal Article | 
    ​ ​Ultrafast excited state dynamics and spectroscopy of 13,13 '-diphenyl-beta-carotene​
    Golibrzuch, K.; Ehlers, F.; Scholz, M.; Oswald, R. B.; Lenzer, T.; Oum, K. & Kim, H. et al.​ (2011) 
    Physical Chemistry Chemical Physics, 13(13) pp. 6340​-6351​.​ DOI: https://doi.org/10.1039/c0cp02525a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Dimers of cyclic carbonates: chirality recognition in battery solvents and energy storage​
    Kollipost, F.; Hesse, S.; Lee, J. J. & Suhm, M. A. ​ (2011) 
    Physical Chemistry, Chemical Physics, 13(31) pp. 14176​-14182​.​ DOI: https://doi.org/10.1039/c1cp21460h 
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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 Physics, 13(17) pp. 7921​-7929​.​ DOI: https://doi.org/10.1039/c1cp20206e 
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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 Physics, 13(18) pp. 8153​-8162​.​ DOI: https://doi.org/10.1039/c0cp01418d 
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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 Physics, 13(28) pp. 12680​-12692​.​ DOI: https://doi.org/10.1039/c1cp20356h 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Weak interactions in ion-ligand complexes of C3H3+ isomers: competition between H-bound and C-bound structures in c-C3H3+center dot L and H2CCCH+center dot L (L = Ne, Ar, N-2, CO2, and O-2)​
    Botschwina, P.; Oswald, R. B. & Dopfer, O.​ (2011) 
    Physical Chemistry Chemical Physics, 13(31) pp. 14163​-14175​.​ DOI: https://doi.org/10.1039/c1cp20815b 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​On the weakly C-H center dot center dot center dot pi hydrogen bonded complexes of sevoflurane and benzene​
    Dom, J. J. J.; van der Veken, B. J.; Michielsen, B.; Jacobs, S.; Xue, Z.; Hesse, S. & Loritz, H.-M. et al.​ (2011) 
    Physical Chemistry, Chemical Physics, 13(31) pp. 14142​-14152​.​ DOI: https://doi.org/10.1039/c1cp20693a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Polymer-solid contacts described by soft, coarse-grained models​
    Mueller, M.; Steinmueller, B.; Daoulas, K. C.; Ramirez-Hernandez, A. & de Pablo, J. J.​ (2011) 
    Physical Chemistry Chemical Physics, 13(22) pp. 10491​-10502​.​ DOI: https://doi.org/10.1039/c0cp02868a 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​A combined Raman- and infrared jet study of mixed methanol-water and ethanol-water clusters​
    Nedic, M.; Wassermann, T. N.; Larsen, R. W. & Suhm, M. A. ​ (2011) 
    Physical Chemistry, Chemical Physics, 13(31) pp. 14050​-14063​.​ DOI: https://doi.org/10.1039/c1cp20182d 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Temperature-dependent intensity anomalies in amino acid esters: weak hydrogen bonds in protected glycine, alanine and valine​
    Otto, K. E.; Hesse, S.; Wassermann, T. N.; Rice, C. A.; Suhm, M. A. ; Stafforst, T. & Diederichsen, U. ​ (2011) 
    Physical Chemistry Chemical Physics, 13(31) pp. 14119​-14130​.​ DOI: https://doi.org/10.1039/c1cp20883g 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | 
    ​ ​Pressure dependent mechanistic branching in the formation pathways of secondary organic aerosol from cyclic-alkene gas-phase ozonolysis​
    Wolf, J. L.; Richters, S.; Pecher, J. & Zeuch, T.​ (2011) 
    Physical Chemistry Chemical Physics, 13(23) pp. 10952​-10964​.​ DOI: https://doi.org/10.1039/c0cp02499f 
    ​Details  DOI  PMID  PMC  WoS 
  • 2011 | Journal Article | Letter Note | 
    ​ ​Comment on "Theoretical investigations into the enantiomeric and racemic forms of alpha-(trifluoromethyl)lactic acid' by R. Tonner, V. A. Soloshonok and P. Schwerdtfeger, Phys. Chem. Chem. Phys., 2011, 13, 811-817​
    Suhm, M. A.   & Albrecht, M.​ (2011) 
    Physical Chemistry Chemical Physics, 13(9) pp. 4159​-4160​.​ DOI: https://doi.org/10.1039/c0cp02455d 
    ​Details  DOI  PMID  PMC  WoS 

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