The Journal of Chemical Physics

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American Institute of Physics
 
 
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  • 2023 Journal Article
    ​ ​Caspers, Juliana, et al. "How are mobility and friction related in viscoelastic fluids?​." ​The Journal of Chemical Physics, vol. 158, no. 2, ​2023, , ​doi: 10.1063/5.0129639. 
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  • 2023 Journal Article
    ​ ​Akaberian, Maryam, et al. "Nonequilibrium mixture dynamics: A model for mobilities and its consequences​." ​The Journal of Chemical Physics, vol. 158, no. 21, ​2023, , ​doi: 10.1063/5.0147206. 
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  • 2023 Journal Article
    ​ ​Reilly, Christopher S., et al. "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, vol. 158, no. 21, ​2023, , ​doi: 10.1063/5.0150009. 
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  • 2023 Journal Article
    ​ ​Basuroy, Krishnayan, 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, vol. 158, no. 5, ​2023, , ​doi: 10.1063/5.0134792. 
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  • 2023 Journal Article
    ​ ​Shi, Lei, et al. "Quantum and classical molecular dynamics for H atom scattering from graphene​." ​The Journal of Chemical Physics, vol. 159, no. 19, ​2023, , ​doi: 10.1063/5.0176655. 
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  • 2023 Journal Article
    ​ ​Fazelzadeh, Mohammad, et al. "Active motion of tangentially driven polymers in periodic array of obstacles​." ​The Journal of Chemical Physics, vol. 159, no. 22, ​2023, , ​doi: 10.1063/5.0180170. 
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  • 2023 Journal Article
    ​ ​Gallegos, Alejandro, Marcus Müller, and Jianzhong Wu. "Single-chain simulation of Ising density functional theory for weak polyelectrolytes​." ​The Journal of Chemical Physics, vol. 159, no. 21, ​2023, , ​doi: 10.1063/5.0175561. 
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  • 2023 Journal Article
    ​ ​Rottler, Jörg, Céline Ruscher, and Peter Sollich. "Thawed matrix method for computing local mechanical properties of amorphous solids​." ​The Journal of Chemical Physics, vol. 159, no. 21, ​2023, , ​doi: 10.1063/5.0167877. 
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  • 2022 Journal Article
    ​ ​Müller, Marcus. "Memory in the relaxation of a polymer density modulation​." ​The Journal of Chemical Physics, vol. 156, no. 12, ​2022, p. 124902​, ​doi: 10.1063/5.0084602. 
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  • 2022 Journal Article
    ​ ​Lavergne, François A., Peter Sollich, and Véronique Trappe. "Delayed elastic contributions to the viscoelastic response of foams​." ​The Journal of Chemical Physics, vol. 156, no. 15, ​2022, p. 154901​, ​doi: 10.1063/5.0085773. 
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  • 2022 Journal Article | Erratum
    ​ ​Schwarzer, M., and J. Peter Toennies. "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, vol. 156, no. 6, ​2022, p. 069903​, ​doi: 10.1063/5.0085404. 
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  • 2022 Journal Article | Research Paper
    ​ ​Enderlein, Jörg, et al. "Modeling charge separation in charged nanochannels for single-molecule electrometry​." ​The Journal of Chemical Physics, vol. 156, no. 10, ​2022, p. 105104​, ​doi: 10.1063/5.0074732. 
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  • 2022 Journal Article
    ​ ​ten Brink, M., et al. "Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods​." ​The Journal of Chemical Physics, vol. 156, no. 23, ​2022, , ​doi: 10.1063/5.0092063. 
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  • 2022 Journal Article
    ​ ​Herbold, Marius, and Jörg Behler. "A Hessian-based assessment of atomic forces for training machine learning interatomic potentials​." ​The Journal of Chemical Physics, vol. 156, no. 11, ​2022, p. 114106​, ​doi: 10.1063/5.0082952. 
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  • 2022 Journal Article
    ​ ​Dinu, Dennis F., et al. "Determination of spectroscopic constants from rovibrational configuration interaction calculations​." ​The Journal of Chemical Physics, vol. 157, no. 15, ​2022, p. 154107​, ​doi: 10.1063/5.0116018. 
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  • 2022 Journal Article
    ​ ​Yasuda, Kento, et al. "Time-correlation functions for odd Langevin systems​." ​The Journal of Chemical Physics, vol. 157, no. 9, ​2022, , ​doi: 10.1063/5.0095969. 
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  • 2022 Journal Article | 
    ​ ​Steffen, David, et al. "Molecular simulations and hydrodynamic theory of nonlocal shear-stress correlations in supercooled fluids​." ​The Journal of Chemical Physics, vol. 157, no. 6, ​2022, , ​doi: 10.1063/5.0098265. 
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  • 2022 Journal Article | 
    ​ ​Rohrbach, Paul B., et al. "Multilevel simulation of hard-sphere mixtures​." ​The Journal of Chemical Physics, vol. 157, no. 12, ​2022, , ​doi: 10.1063/5.0102875. 
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  • 2021 Journal Article | Research Paper
    ​ ​Basuroy, Krishnayan, et al. "Ultrafast sorting: Excimeric π – π stacking distinguishes pyrene-N-methylacetamide isomers on the ultrafast time scale​." ​The Journal of Chemical Physics, vol. 155, no. 23, ​2021, p. 234304​, ​doi: 10.1063/5.0072785. 
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  • 2021 Journal Article
    ​ ​Jain, Rohit, et al. "Two step micro-rheological behavior in a viscoelastic fluid​." ​The Journal of Chemical Physics, vol. 154, no. 18, ​2021, p. 184904​, ​doi: 10.1063/5.0048320. 
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  • 2021 Journal Article
    ​ ​Daly, Steven, 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, vol. 154, no. 22, ​2021, p. 224301​, ​doi: 10.1063/5.0052697. 
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  • 2021 Journal Article | Research Paper
    ​ ​Lecroart, Loïc, et al. "Adsorbate modification of electronic nonadiabaticity: H atom scattering from p (2 × 2) O on Pt(111)​." ​The Journal of Chemical Physics, vol. 155, no. 3, ​2021, p. 034702​, ​doi: 10.1063/5.0058789. 
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  • 2021 Journal Article
    ​ ​Zantop, Arne W., and Holger Stark. "Multi-particle collision dynamics with a non-ideal equation of state. I​." ​The Journal of Chemical Physics, vol. 154, no. 2, ​2021, p. 024105​, ​doi: 10.1063/5.0037934. 
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  • 2021 Journal Article
    ​ ​Lu, Tao, et al. "Van der Waals interactions of the disulfide bond revealed: A microwave spectroscopic study of the diethyl disulfide–argon complex​." ​The Journal of Chemical Physics, vol. 154, no. 12, ​2021, p. 124306​, ​doi: 10.1063/5.0043615. 
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  • 2021 Journal Article
    ​ ​Schwarzer, Michael, and J. Peter Toennies. "Accurate semiempirical potential energy curves for the a 3 Σ + -state of NaCs, KCs, and RbCs​." ​The Journal of Chemical Physics, vol. 154, no. 15, ​2021, p. 154304​, ​doi: 10.1063/5.0046194. 
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  • 2021 Journal Article
    ​ ​Nejad, Arman, and Edwin L. Sibert. "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, vol. 154, no. 6, ​2021, p. 064301​, ​doi: 10.1063/5.0039237. 
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  • 2021 Journal Article
    ​ ​Nejad, Arman, et al. "Slow monomer vibrations in formic acid dimer: Stepping up the ladder with FTIR and Raman jet spectroscopy​." ​The Journal of Chemical Physics, vol. 155, no. 22, ​2021, p. 224301​, ​doi: 10.1063/5.0075272. 
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  • 2021 Journal Article | Research Paper
    ​ ​Eckhoff, Marco, and Jörg Behler. "Insights into lithium manganese oxide–water interfaces using machine learning potentials​." ​The Journal of Chemical Physics, vol. 155, no. 24, ​2021, p. 244703​, ​doi: 10.1063/5.0073449. 
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  • 2020 Journal Article
    ​ ​Gottschalk, Hannes C., et al. "The first microsolvation step for furans: New experiments and benchmarking strategies​." ​The Journal of Chemical Physics, vol. 152, no. 16, ​2020, p. 164303​, ​doi: 10.1063/5.0004465. 
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  • 2020 Journal Article
    ​ ​Pinacho, Pablo, Daniel A. Obenchain, and Melanie Schnell. "New findings from old data: A semi-experimental value for the eQq of the nitrogen atom​." ​The Journal of Chemical Physics, vol. 153, no. 23, ​2020, p. 234307​, ​doi: 10.1063/5.0033071. 
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  • 2020 Journal Article | Research Paper
    ​ ​Eckhoff, Marco, et al. "Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels​." ​The Journal of Chemical Physics, vol. 153, no. 16, ​2020, p. 164107​, ​doi: 10.1063/5.0021452. 
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  • 2020 Journal Article
    ​ ​Lunkenheimer, Peter, et al. "Universal correlations between the fragility and interparticle repulsion of glass-forming liquids​." ​The Journal of Chemical Physics, vol. 153, no. 12, ​2020, p. 124507​, ​doi: 10.1063/5.0014457. 
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  • 2020 Journal Article
    ​ ​Paleico, Martín Leandro, and Jörg Behler. "A flexible and adaptive grid algorithm for global optimization utilizing basin hopping Monte Carlo​." ​The Journal of Chemical Physics, vol. 152, no. 9, ​2020, p. 094109​, ​doi: 10.1063/1.5142363. 
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  • 2020 Journal Article | Research Paper
    ​ ​Naumova, Maria A., et al. "Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum​." ​The Journal of Chemical Physics, vol. 152, no. 21, ​2020, p. 214301​, ​doi: 10.1063/1.5138641. 
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  • 2020 Journal Article
    ​ ​Poutsma, John C., et al. "Toward a quantitative analysis of the temperature dependence of electron attachment to SF 6​." ​The Journal of Chemical Physics, vol. 152, no. 12, ​2020, p. 124302​, ​doi: 10.1063/5.0002705. 
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  • 2020 Journal Article
    ​ ​Geweke, Jan, and Alec M. Wodtke. "Vibrationally inelastic scattering of HCl from Ag(111)​." ​The Journal of Chemical Physics, vol. 153, no. 16, ​2020, p. 164703​, ​doi: 10.1063/5.0026228. 
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  • 2020 Journal Article
    ​ ​Lau, Jascha A., et al. "The coverage dependence of the infrared absorption of CO adsorbed to NaCl(100)​." ​The Journal of Chemical Physics, vol. 153, no. 15, ​2020, p. 154703​, ​doi: 10.1063/5.0025799. 
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  • 2020 Journal Article
    ​ ​Westphal, Georg, et al. "Chirality detection of surface desorption products using photoelectron circular dichroism​." ​The Journal of Chemical Physics, vol. 153, no. 5, ​2020, p. 054707​, ​doi: 10.1063/5.0014917. 
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  • 2020 Journal Article
    ​ ​Paleico, Martín Leandro, and Jörg Behler. "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, vol. 153, no. 5, ​2020, p. 054704​, ​doi: 10.1063/5.0014876. 
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  • 2020 Journal Article
    ​ ​Bravi, Barbara, Katy J. Rubin, and Peter Sollich. "Systematic model reduction captures the dynamics of extrinsic noise in biochemical subnetworks​." ​The Journal of Chemical Physics, vol. 153, no. 2, ​2020, p. 025101​, ​doi: 10.1063/5.0008304. 
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  • 2020 Journal Article
    ​ ​Rohwer, Christian M., Mehran Kardar, and Matthias Krüger. "Activated diffusiophoresis​." ​The Journal of Chemical Physics, vol. 152, no. 8, ​2020, p. 084109​, ​doi: 10.1063/1.5139017. 
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  • 2020 Journal Article
    ​ ​Schwarzer, Michael, and J. Peter Toennies. "An accurate semiempirical potential energy curve for the a 3 Σ +-state of KRb​." ​The Journal of Chemical Physics, vol. 153, no. 11, ​2020, , ​doi: 10.1063/5.0019223. 
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