The Journal of Chemical Physics

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American Institute of Physics
 
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  • 2023 | Journal Article
    ​ ​Caspers J, Ditz N, Krishna Kumar K, Ginot F, Bechinger C, Fuchs M, et al. ​How are mobility and friction related in viscoelastic fluids?​. ​​The Journal of Chemical Physics. ​2023;​158​(2). ​doi:10.1063/5.0129639. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Akaberian M, Thewes FC, Sollich P, Krüger M. ​Nonequilibrium mixture dynamics: A model for mobilities and its consequences​. ​​The Journal of Chemical Physics. ​2023;​158​(21). ​doi:10.1063/5.0147206. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Reilly CS, Floß P, Chen, Bo-Jung, Auerbach DJ, Beck RD. ​Quantum state-resolved methane scattering from Ni(111) and NiO(111) by bolometer infrared laser tagging: The effect of surface oxidation​. ​​The Journal of Chemical Physics. ​2023;​158​(21). ​doi:10.1063/5.0150009. 
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  • 2023 | Journal Article
    ​ ​Basuroy K, Velazquez-Garcia JJ, Storozhuk D, Henning R, Gosztola DJ, Thekku Veedu S, et al. ​Axial vs equatorial: Capturing the intramolecular charge transfer state geometry in conformational polymorphic crystals of a donor–bridge–acceptor dyad in nanosecond-time-scale​. ​​The Journal of Chemical Physics. ​2023;​158​(5). ​doi:10.1063/5.0134792. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Shi L, Schröder M, Meyer, Hans-Dieter, Peláez D, Wodtke AM, Golibrzuch K, et al. ​Quantum and classical molecular dynamics for H atom scattering from graphene​. ​​The Journal of Chemical Physics. ​2023;​159​(19). ​doi:10.1063/5.0176655. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Fazelzadeh M, Di Q, Irani E, Mokhtari Z, Jabbari-Farouji S. ​Active motion of tangentially driven polymers in periodic array of obstacles​. ​​The Journal of Chemical Physics. ​2023;​159​(22). ​doi:10.1063/5.0180170. 
    ​Details  DOI 
  • 2023 | Journal Article
    ​ ​Gallegos A, Müller M, Wu J. ​Single-chain simulation of Ising density functional theory for weak polyelectrolytes​. ​​The Journal of Chemical Physics. ​2023;​159​(21). ​doi:10.1063/5.0175561. 
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  • 2023 | Journal Article
    ​ ​Rottler J, Ruscher C, Sollich P. ​Thawed matrix method for computing local mechanical properties of amorphous solids​. ​​The Journal of Chemical Physics. ​2023;​159​(21). ​doi:10.1063/5.0167877. 
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  • 2022 | Journal Article
    ​ ​Müller M. ​Memory in the relaxation of a polymer density modulation​. ​​The Journal of Chemical Physics. ​2022;​156​(12):​​124902​. ​doi:10.1063/5.0084602. 
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  • 2022 | Journal Article
    ​ ​Lavergne FA, Sollich P, Trappe V. ​Delayed elastic contributions to the viscoelastic response of foams​. ​​The Journal of Chemical Physics. ​2022;​156​(15):​​154901​. ​doi:10.1063/5.0085773. 
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  • 2022 | Journal Article | Erratum
    ​ ​Schwarzer M, Toennies JP. ​Erratum: “Accurate semiempirical potential energy curves for the a 3 Σ + -state of NaCs, KCs, and RbCs” [J. Chem. Phys. 154, 154304 (2021)]​. ​​The Journal of Chemical Physics. ​2022;​156​(6):​​069903​. ​doi:10.1063/5.0085404. 
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  • 2022 | Journal Article | Research Paper
    ​ ​Enderlein J, Sakhapov D, Gregor I, Croci M, Karedla N. ​Modeling charge separation in charged nanochannels for single-molecule electrometry​. ​​The Journal of Chemical Physics. ​2022;​156​(10):​​105104​. ​doi:10.1063/5.0074732. 
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  • 2022 | Journal Article
    ​ ​ten Brink M, Gräber S, Hopjan M, Jansen D, Stolpp J, Heidrich-Meisner F, et al. ​Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods​. ​​The Journal of Chemical Physics. ​2022;​156​(23). ​doi:10.1063/5.0092063. 
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  • 2022 | Journal Article
    ​ ​Herbold M, Behler J. ​A Hessian-based assessment of atomic forces for training machine learning interatomic potentials​. ​​The Journal of Chemical Physics. ​2022;​156​(11):​​114106​. ​doi:10.1063/5.0082952. 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Dinu DF, Tschöpe M, Schröder B, Liedl KR, Rauhut G. ​Determination of spectroscopic constants from rovibrational configuration interaction calculations​. ​​The Journal of Chemical Physics. ​2022;​157​(15):​​154107​. ​doi:10.1063/5.0116018. 
    ​Details  DOI 
  • 2022 | Journal Article
    ​ ​Yasuda K, Ishimoto K, Kobayashi A, Lin, Li-Shing, Sou I, Hosaka Y, et al. ​Time-correlation functions for odd Langevin systems​. ​​The Journal of Chemical Physics. ​2022;​157​(9). ​doi:10.1063/5.0095969. 
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  • 2022 | Journal Article | 
    ​ ​Steffen D, Schneider L, Müller M, Rottler J. ​Molecular simulations and hydrodynamic theory of nonlocal shear-stress correlations in supercooled fluids​. ​​The Journal of Chemical Physics. ​2022;​157​(6). ​doi:10.1063/5.0098265. 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​Rohrbach PB, Kobayashi H, Scheichl R, Wilding NB, Jack RL. ​Multilevel simulation of hard-sphere mixtures​. ​​The Journal of Chemical Physics. ​2022;​157​(12). ​doi:10.1063/5.0102875. 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper
    ​ ​Basuroy K, de J. Velazquez-Garcia J, Storozhuk D, Gosztola DJ, Veedu ST, Techert S. ​Ultrafast sorting: Excimeric π – π stacking distinguishes pyrene-N-methylacetamide isomers on the ultrafast time scale​. ​​The Journal of Chemical Physics. ​2021;​155​(23):​​234304​. ​doi:10.1063/5.0072785. 
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  • 2021 | Journal Article
    ​ ​Jain R, Ginot F, Berner J, Bechinger C, Krüger M. ​Two step micro-rheological behavior in a viscoelastic fluid​. ​​The Journal of Chemical Physics. ​2021;​154​(18):​​184904​. ​doi:10.1063/5.0048320. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Daly S, Weske S, Mravak A, Krstić M, Kulesza A, Antoine R, et al. ​Phenyl argentate aggregates [Ag n Ph n + 1 ] − (n = 2–8): Models for the self-assembly of atom-precise polynuclear organometallics​. ​​The Journal of Chemical Physics. ​2021;​154​(22):​​224301​. ​doi:10.1063/5.0052697. 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper
    ​ ​Lecroart L, Hertl N, Dorenkamp Y, Jiang H, Kitsopoulos TN, Kandratsenka A, et al. ​Adsorbate modification of electronic nonadiabaticity: H atom scattering from p (2 × 2) O on Pt(111)​. ​​The Journal of Chemical Physics. ​2021;​155​(3):​​034702​. ​doi:10.1063/5.0058789. 
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  • 2021 | Journal Article
    ​ ​Zantop AW, Stark H. ​Multi-particle collision dynamics with a non-ideal equation of state. I​. ​​The Journal of Chemical Physics. ​2021;​154​(2):​​024105​. ​doi:10.1063/5.0037934. 
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  • 2021 | Journal Article
    ​ ​Lu T, Obenchain DA, Zhang J, Grabow, Jens-Uwe, Feng G. ​Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide–argon complex​. ​​The Journal of Chemical Physics. ​2021;​154​(12):​​124306​. ​doi:10.1063/5.0043615. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Schwarzer M, Toennies JP. ​Accurate semiempirical potential energy curves for the a 3 Σ + -state of NaCs, KCs, and RbCs​. ​​The Journal of Chemical Physics. ​2021;​154​(15):​​154304​. ​doi:10.1063/5.0046194. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Nejad A, Sibert EL. ​The Raman jet spectrum of trans -formic acid and its deuterated isotopologs: Combining theory and experiment to extend the vibrational database​. ​​The Journal of Chemical Physics. ​2021;​154​(6):​​064301​. ​doi:10.1063/5.0039237. 
    ​Details  DOI 
  • 2021 | Journal Article
    ​ ​Nejad A, Meyer KAE, Kollipost F, Xue Z, Suhm MA. ​Slow monomer vibrations in formic acid dimer: Stepping up the ladder with FTIR and Raman jet spectroscopy​. ​​The Journal of Chemical Physics. ​2021;​155​(22):​​224301​. ​doi:10.1063/5.0075272. 
    ​Details  DOI 
  • 2021 | Journal Article | Research Paper
    ​ ​Eckhoff M, Behler J. ​Insights into lithium manganese oxide–water interfaces using machine learning potentials​. ​​The Journal of Chemical Physics. ​2021;​155​(24):​​244703​. ​doi:10.1063/5.0073449. 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article
    ​ ​Gottschalk HC, Poblotzki A, Fatima M, Obenchain DA, Pérez C, Antony J, et al. ​The first microsolvation step for furans: New experiments and benchmarking strategies​. ​​The Journal of Chemical Physics. ​2020;​152​(16):​​164303​. ​doi:10.1063/5.0004465. 
    ​Details  DOI  PMID  PMC 
  • 2020 | Journal Article
    ​ ​Pinacho P, Obenchain DA, Schnell M. ​New findings from old data: A semi-experimental value for the eQq of the nitrogen atom​. ​​The Journal of Chemical Physics. ​2020;​153​(23):​​234307​. ​doi:10.1063/5.0033071. 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Eckhoff M, Lausch KN, Blöchl PE, Behler J. ​Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels​. ​​The Journal of Chemical Physics. ​2020;​153​(16):​​164107​. ​doi:10.1063/5.0021452. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Lunkenheimer P, Humann F, Loidl A, Samwer K. ​Universal correlations between the fragility and interparticle repulsion of glass-forming liquids​. ​​The Journal of Chemical Physics. ​2020;​153​(12):​​124507​. ​doi:10.1063/5.0014457. 
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  • 2020 | Journal Article
    ​ ​Paleico ML, Behler J. ​A flexible and adaptive grid algorithm for global optimization utilizing basin hopping Monte Carlo​. ​​The Journal of Chemical Physics. ​2020;​152​(9):​​094109​. ​doi:10.1063/1.5142363. 
    ​Details  DOI 
  • 2020 | Journal Article | Research Paper
    ​ ​Naumova MA, Kalinko A, Wong JWL, Alvarez Gutierrez S, Meng J, Liang M, et al. ​Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum​. ​​The Journal of Chemical Physics. ​2020;​152​(21):​​214301​. ​doi:10.1063/1.5138641. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Poutsma JC, Shuman NS, Miller TM, Troe J, Viggiano AA. ​Toward a quantitative analysis of the temperature dependence of electron attachment to SF 6​. ​​The Journal of Chemical Physics. ​2020;​152​(12):​​124302​. ​doi:10.1063/5.0002705. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Geweke J, Wodtke AM. ​Vibrationally inelastic scattering of HCl from Ag(111)​. ​​The Journal of Chemical Physics. ​2020;​153​(16):​​164703​. ​doi:10.1063/5.0026228. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Lau JA, Schönemann, Anna-Maria, Schwarzer D, Wodtke AM. ​The coverage dependence of the infrared absorption of CO adsorbed to NaCl(100)​. ​​The Journal of Chemical Physics. ​2020;​153​(15):​​154703​. ​doi:10.1063/5.0025799. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Westphal G, Wega J, Dissanayake REA, Schäfer T. ​Chirality detection of surface desorption products using photoelectron circular dichroism​. ​​The Journal of Chemical Physics. ​2020;​153​(5):​​054707​. ​doi:10.1063/5.0014917. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Paleico ML, Behler J. ​Global optimization of copper clusters at the ZnO(101¯0) surface using a DFT-based neural network potential and genetic algorithms​. ​​The Journal of Chemical Physics. ​2020;​153​(5):​​054704​. ​doi:10.1063/5.0014876. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Bravi B, Rubin KJ, Sollich P. ​Systematic model reduction captures the dynamics of extrinsic noise in biochemical subnetworks​. ​​The Journal of Chemical Physics. ​2020;​153​(2):​​025101​. ​doi:10.1063/5.0008304. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Rohwer CM, Kardar M, Krüger M. ​Activated diffusiophoresis​. ​​The Journal of Chemical Physics. ​2020;​152​(8):​​084109​. ​doi:10.1063/1.5139017. 
    ​Details  DOI 
  • 2020 | Journal Article
    ​ ​Schwarzer M, Toennies JP. ​An accurate semiempirical potential energy curve for the a 3 Σ +-state of KRb​. ​​The Journal of Chemical Physics. ​2020;​153​(11). ​doi:10.1063/5.0019223. 
    ​Details  DOI 

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