The Journal of Chemical Physics

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American Institute of Physics
 
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  • 2022 | Journal Article | Research Paper
    ​ ​Modeling charge separation in charged nanochannels for single-molecule electrometry​
    Enderlein, J. ; Sakhapov, D.; Gregor, I.; Croci, M. & Karedla, N.​ (2022) 
    The Journal of Chemical Physics, 156(10) pp. 105104​.​ DOI: https://doi.org/10.1063/5.0074732 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper
    ​ ​Ultrafast sorting: Excimeric π – π stacking distinguishes pyrene-N-methylacetamide isomers on the ultrafast time scale​
    Basuroy, K.; de J. Velazquez-Garcia, J.; Storozhuk, D.; Gosztola, D. J.; Veedu, S. T. & Techert, S.​ (2021) 
    The Journal of Chemical Physics, 155(23) pp. 234304​.​ DOI: https://doi.org/10.1063/5.0072785 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper
    ​ ​Adsorbate modification of electronic nonadiabaticity: H atom scattering from p (2 × 2) O on Pt(111)​
    Lecroart, L.; Hertl, N.; Dorenkamp, Y.; Jiang, H.; Kitsopoulos, T. N. ; Kandratsenka, A. & Bünermann, O. et al.​ (2021) 
    The Journal of Chemical Physics, 155(3) pp. 034702​.​ DOI: https://doi.org/10.1063/5.0058789 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper
    ​ ​Insights into lithium manganese oxide–water interfaces using machine learning potentials​
    Eckhoff, M. & Behler, J.​ (2021) 
    The Journal of Chemical Physics, 155(24) pp. 244703​.​ DOI: https://doi.org/10.1063/5.0073449 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article | Research Paper
    ​ ​Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels​
    Eckhoff, M.; Lausch, K. N.; Blöchl, P. E.   & Behler, J. ​ (2020) 
    The Journal of Chemical Physics, 153(16) pp. 164107​.​ DOI: https://doi.org/10.1063/5.0021452 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum​
    Naumova, M. A.; Kalinko, A.; Wong, J. W. L.; Alvarez Gutierrez, S.; Meng, J.; Liang, M. & Abdellah, M. et al.​ (2020) 
    The Journal of Chemical Physics, 152(21) pp. 214301​.​ DOI: https://doi.org/10.1063/1.5138641 
    ​Details  DOI 
  • 2019 | Journal Article | Research Paper
    ​ ​Inelastic H and D atom scattering from Au(111) as benchmark for theory​
    Jiang, H.; Dorenkamp, Y.; Krüger, K. & Bünermann, O. ​ (2019) 
    The Journal of Chemical Physics, 150(18) pp. 184704​.​ DOI: https://doi.org/10.1063/1.5094693 
    ​Details  DOI 
  • 2018 | Journal Article | Research Paper
    ​ ​Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption​
    Dorenkamp, Y.; Jiang, H.; Köckert, H.; Hertl, N.; Kammler, M.; Janke, S. M. & Kandratsenka, A. et al.​ (2018) 
    The Journal of Chemical Physics, 148(3) pp. 034706​.​ DOI: https://doi.org/10.1063/1.5008982 
    ​Details  DOI 
  • 2018 | Journal Article | Research Paper
    ​ ​Role of translational entropy in spatially inhomogeneous, coarse-grained models​
    Langenberg, M.; Jackson, N. E.; de Pablo, J. J. & Müller, M. ​ (2018) 
    The Journal of Chemical Physics, 148(9) pp. 094112​.​ DOI: https://doi.org/10.1063/1.5018178 
    ​Details  DOI 
  • 2017 | Journal Article | Research Paper
    ​ ​Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program​
    Feldt, J.; Miranda, S.; Pratas, F.; Roma, N.; Tomás, P. & Mata, R. A. ​ (2017) 
    The Journal of Chemical Physics, 147(24) art. 244105​.​ DOI: https://doi.org/10.1063/1.5009820 
    ​Details  DOI  PMID  PMC 
  • 2015 | Journal Article | Research Paper
    ​ ​An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption​
    Janke, S. M.; Auerbach, D. J.; Wodtke, A. M.   & Kandratsenka, A.​ (2015) 
    The Journal of Chemical Physics, 143(12) art. 124708​.​ DOI: https://doi.org/10.1063/1.4931669 
    ​Details  DOI  PMID  PMC  WoS 
  • 2015 | Journal Article | Research Paper
    ​ ​High-order sampling schemes for path integrals and Gaussian chain simulations of polymers​
    Mueser, M. H. & Mueller, M.​ (2015) 
    The Journal of Chemical Physics, 142(17) art. UNSP 174105​.​ DOI: https://doi.org/10.1063/1.4919311 
    ​Details  DOI  PMID  PMC  WoS 

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