Institut für Physikalische Chemie

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  • 2023 | Journal Article | 
    ​ ​Mechanisms of Cysteine‐Lysine Covalent Linkage ‐ The Role of Reactive Oxygen Species and Competition with Disulfide Bonds​
    Ye, J.; Bazzi, S.; Fritz, T.; Tittmann, K. ; Mata, R. A.   & Uranga, J. ​ (2023) 
    Angewandte Chemie. International Edition, art. e202304163​.​ DOI: https://doi.org/10.1002/anie.202304163 
    ​Details  DOI 
  • 2022 | Journal Article | Research Paper | 
    ​ ​Roadmap on Machine learning in electronic structure​
    Kulik, H. J.; Hammerschmidt, T.; Schmidt, J.; Botti, S.; Marques, M. A. L.; Boley, M. & Scheffler, M. et al.​ (2022) 
    Electronic Structure, 4(2).​ DOI: https://doi.org/10.1088/2516-1075/ac572f 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​The Thermal Dissociation–Recombination Reactions of SiF4, SiF3, and SiF2: A Shock Wave and Theoretical Modeling Study​
    Cobos, C. J.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2022) 
    The Journal of Physical Chemistry A, art. acs.jpca.2c06529​.​ DOI: https://doi.org/10.1021/acs.jpca.2c06529 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Quantum effects in thermal reaction rates at metal surfaces​
    Borodin, D.; Hertl, N.; Park, G. B.; Schwarzer, M.; Fingerhut, J.; Wang, Y. & Zuo, J. et al.​ (2022) 
    Science, 377(6604) pp. 394​-398​.​ DOI: https://doi.org/10.1126/science.abq1414 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter​
    Zhang, Y.; Box, C. L.; Schäfer, T.; Kandratsenka, A.; Wodtke, A. M. ; Maurer, R. J. & Jiang, B.​ (2022) 
    Physical Chemistry Chemical Physics, 24(33) pp. 19753​-19760​.​ DOI: https://doi.org/10.1039/D2CP03312G 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Statistical theory for the reaction N + OH → NO + H: thermal low-temperature rate constants​
    Maergoiz, A. I.; Nikitin, E. E. & Troe, J. ​ (2022) 
    Faraday Discussions,.​ DOI: https://doi.org/10.1039/D2FD00018K 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Adsorption and Absorption Energies of Hydrogen with Palladium​
    Schwarzer, M.; Hertl, N.; Nitz, F.; Borodin, D.; Fingerhut, J.; Kitsopoulos, T. N.   & Wodtke, A. M. ​ (2022) 
    The Journal of Physical Chemistry C, 126(34) pp. 14500​-14508​.​ DOI: https://doi.org/10.1021/acs.jpcc.2c04567 
    ​Details  DOI 
  • 2022 | Journal Article | Research Paper | 
    ​ ​Gold nanoparticle ring arrays from core–satellite nanostructures made to order by hydrogen bond interactions​
    Cai, Y.; Peng, W. & Vana, P. ​ (2022) 
    Nanoscale Advances, 4(13) pp. 2787​-2793​.​ DOI: https://doi.org/10.1039/D2NA00204C 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Condensed phase isomerization through tunneling gateways​
    Choudhury, A.; DeVine, J. A.; Sinha, S.; Lau, J. A.; Kandratsenka, A.; Schwarzer, D.   & Saalfrank, P. et al.​ (2022) 
    Nature,.​ DOI: https://doi.org/10.1038/s41586-022-05451-0 
    ​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 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Structures of the (Imidazole)nH+ ... Ar (n=1,2,3) complexes determined from IR spectroscopy and quantum chemical calculations​
    Tikhonov, D. S.; Scutelnic, V.; Sharapa, D. I.; Krotova, A. A.; Dmitrieva, A. V.; Obenchain, D.   & Schnell, M.​ (2022) 
    Structural Chemistry,.​ DOI: https://doi.org/10.1007/s11224-022-02053-4 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Generation of Sub-nanosecond H Atom Pulses for Scattering from Single-Crystal Epitaxial Graphene​
    Golibrzuch, K.; Walpole, V.; Schönemann, A.-M. & Wodtke, A. M. ​ (2022) 
    The Journal of Physical Chemistry A, 126(43) art. acs.jpca.2c05364​.​ DOI: https://doi.org/10.1021/acs.jpca.2c05364 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Epithelial cells sacrifice excess area to preserve fluidity in response to external mechanical stress​
    Bodenschatz, J. F. E.; Ajmail, K.; Skamrahl, M.; Vache, M.; Gottwald, J.; Nehls, S. & Janshoff, A. ​ (2022) 
    Communications Biology, 5(1).​ DOI: https://doi.org/10.1038/s42003-022-03809-8 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​NoisySignalIntegration.jl: A Julia package for uncertainty evaluation of numeric integrals​
    Lüttschwager, N. O. B. ​ (2021) 
    The Journal of Open Source Software, 6(64) art. 3526​.​ DOI: https://doi.org/10.21105/joss.03526 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper | 
    ​ ​A Sustainable Slit Jet FTIR Spectrometer for Hydrate Complexes and Beyond​
    Gottschalk, H. C.; Fischer, T. L.; Meyer, V.; Hildebrandt, R.; Schmitt, U. & Suhm, M. A. ​ (2021) 
    Instruments, 5(1).​ DOI: https://doi.org/10.3390/instruments5010012 
    ​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 | Research Paper | 
    ​ ​Halogens in Acetophenones Direct the Hydrogen Bond Docking Preference of Phenol via Stacking Interactions​
    Zimmermann, C.; Lange, M. & Suhm, M. A. ​ (2021) 
    Molecules, 26(16) pp. 4883​.​ DOI: https://doi.org/10.3390/molecules26164883 
    ​Details  DOI 
  • 2021 | Preprint | 
    ​ ​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. ​ (2021). DOI: https://doi.org/10.26434/chemrxiv-2021-w8v42 
    ​Details  DOI 
  • 2021 | Preprint | 
    ​ ​Viscoelasticity of basal plasma membranes and cortices derived from MDCK II cells​
    Janshoff, A. ​ (2021). DOI: https://doi.org/10.1101/2021.05.20.444971 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​The first microsolvation step for furans: New experiments and benchmarking strategies​
    Gottschalk, H. C.; Poblotzki, A.; Fatima, M.; Obenchain, D. A. ; Pérez, C.; Antony, J. & Auer, A. A. et al.​ (2020) 
    The Journal of Chemical Physics, 152(16) pp. 164303​.​ DOI: https://doi.org/10.1063/5.0004465 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article
    ​ ​Glycolic Acid as a Vibrational Anharmonicity Benchmark​
    Nejad, A.; Meyer, E. & Suhm, M. A. ​ (2020) 
    The Journal of Physical Chemistry Letters, 11(13) pp. 5228​-5233​.​ DOI: https://doi.org/10.1021/acs.jpclett.0c01462 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Concerted Pair Motion Due to Double Hydrogen Bonding: The Formic Acid Dimer Case​
    Nejad, A. & Suhm, M. A. ​ (2020) 
    Journal of the Indian Institute of Science, 100(1) pp. 5​-19​.​ DOI: https://doi.org/10.1007/s41745-019-00137-5 
    ​Details  DOI 
  • 2020 | Journal Article | 
    ​ ​Breaking News! Making and testing Bronze Age balance scales​
    Hermann, R.; Steinhoff, J.; Schlotzhauer, P. & Vana, P.​ (2020) 
    Journal of Archaeological Science: Reports, 32 art. 102444​.​ DOI: https://doi.org/10.1016/j.jasrep.2020.102444 
    ​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 | 
    ​ ​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 

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