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Reversed dynamics of bottlebrush polymers with stiff backbone and flexible side chains
Jakobi, B., Bichler, K. J., Juranyi, F., & Schneider, G. J. (2024). Reversed dynamics of bottlebrush polymers with stiff backbone and flexible side chains. Journal of Chemical Physics, 160(8), 084901 (9 pp.). https://doi.org/10.1063/5.0184429
Ideal gas reference for association/dissociation reactions: concentration bias and kinetic reference voltage/potentials in electrolysis
Binninger, T., Heinritz, A., & Mohamed, R. (2023). Ideal gas reference for association/dissociation reactions: concentration bias and kinetic reference voltage/potentials in electrolysis. Journal of Chemical Physics, 158(12), 124129 (14 pp.). https://doi.org/10.1063/5.0118467
Photoelectron spectroscopy and dissociative photoionization of fulminic acid, HCNO
Gerlach, M., Mant, B., Preitschopf, T., Karaev, E., Mayer, D., Quitián-Lara, H. M., … Fischer, I. (2023). Photoelectron spectroscopy and dissociative photoionization of fulminic acid, HCNO. Journal of Chemical Physics, 158(13), 134303 (9 pp.). https://doi.org/10.1063/5.0142194
Kinetic reconstruction of free energies as a function of multiple order parameters
Goswami, Y., & Sastry, S. (2023). Kinetic reconstruction of free energies as a function of multiple order parameters. Journal of Chemical Physics, 158(14), 144502 (17 pp.). https://doi.org/10.1063/5.0144338
Semi-empirical analysis of leptons in gases in crossed electric and magnetic fields. I. Electrons in helium
Hildebrandt, M., & Robson, R. E. (2023). Semi-empirical analysis of leptons in gases in crossed electric and magnetic fields. I. Electrons in helium. Journal of Chemical Physics, 159(19), 194115 (7 pp.). https://doi.org/10.1063/5.0172593
Semi-empirical analysis of leptons in gases in crossed electric and magnetic fields. Part II. Transverse compression of muon beams
Hildebrandt, M., Robson, R. E., & Garland, N. (2023). Semi-empirical analysis of leptons in gases in crossed electric and magnetic fields. Part II. Transverse compression of muon beams. Journal of Chemical Physics, 159(19), 194116 (9 pp.). https://doi.org/10.1063/5.0172598
Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings
Medrano, G., Bainglass, E., & Andreussi, O. (2023). Uncoupling system and environment simulation cells for fast-scaling modeling of complex continuum embeddings. Journal of Chemical Physics, 159(5), 054103 (12 pp.). https://doi.org/10.1063/5.0150298
Dynamically disordered hydrogen bonds in the hureaulite-type phosphatic oxyhydroxide Mn<sub>5</sub>[(PO<sub>4</sub>)<sub>2</sub>(PO<sub>3</sub>(OH))<sub>2</sub>](HOH)<sub>4</sub>
Hartl, A., Jurányi, F., Krack, M., Lunkenheimer, P., Schulz, A., Sheptyakov, D., … Park, S. H. (2022). Dynamically disordered hydrogen bonds in the hureaulite-type phosphatic oxyhydroxide Mn5[(PO4)2(PO3(OH))2](HOH)4. Journal of Chemical Physics, 156(9), 094502 (18 pp.). https://doi.org/10.1063/5.0083856
Rovibrational investigation of a new high-lying 0<sub>u</sub><sup>+</sup> state of Cu<sub>2 </sub>by using two-color resonant four-wave-mixing spectroscopy
Jin, J., Zhang, Q., Bornhauser, P., Knopp, G., Marquardt, R., & Radi, P. P. (2022). Rovibrational investigation of a new high-lying 0u+ state of Cu2 by using two-color resonant four-wave-mixing spectroscopy. Journal of Chemical Physics, 156(18), 184305 (9 pp.). https://doi.org/10.1063/5.0087743
Paramagnetic probes in an organic semiconductor: <em>μ</em>SR and DFT calculations of the Mu adducts of Alq<sub>3</sub> and 8-hydroxyquinoline
McKenzie, I., Cannon, J., Cordoni-Jordan, D., Mulley, B. P., & Scheuermann, R. (2022). Paramagnetic probes in an organic semiconductor: μSR and DFT calculations of the Mu adducts of Alq3 and 8-hydroxyquinoline. Journal of Chemical Physics, 157(6), 064702 (11 pp.). https://doi.org/10.1063/5.0105200
Sizes of pure and doped helium droplets from single shot x-ray imaging
Tanyag, R. M. P., Bacellar, C., Pang, W., Bernando, C., Gomez, L. F., Jones, C. F., … Vilesov, A. F. (2022). Sizes of pure and doped helium droplets from single shot x-ray imaging. Journal of Chemical Physics, 156(4), 041102 (8 pp.). https://doi.org/10.1063/5.0080342
Anomalous temperature dependence of the experimental x-ray structure factor of supercooled water
Esmaeildoost, N., Pathak, H., Späh, A., Lane, T. J., Kim, K. H., Yang, C., … Sellberg, J. A. (2021). Anomalous temperature dependence of the experimental x-ray structure factor of supercooled water. Journal of Chemical Physics, 155(21), 214501 (11 pp.). https://doi.org/10.1063/5.0075499
Broadband visible two-dimensional spectroscopy of molecular dyes
Mewes, L., Ingle, R. A., Al Haddad, A., & Chergui, M. (2021). Broadband visible two-dimensional spectroscopy of molecular dyes. Journal of Chemical Physics, 155(3), 034201 (12 pp.). https://doi.org/10.1063/5.0053554
Hydrogen bond effects in multimode nuclear dynamics of acetic acid observed via resonant x-ray scattering
Savchenko, V., Ekholm, V., Brumboiu, I. E., Norman, P., Pietzsch, A., Föhlisch, A., … Kimberg, V. (2021). Hydrogen bond effects in multimode nuclear dynamics of acetic acid observed via resonant x-ray scattering. Journal of Chemical Physics, 154(21), 214304 (17 pp.). https://doi.org/10.1063/5.0049966
Accurate ground state potential of Cu&lt;sub&gt;2&lt;/sub&gt; up to the dissociation limit by perturbation assisted double-resonant four-wave mixing
Bornhauser, P., Beck, M., Zhang, Q., Knopp, G., Marquardt, R., Gourlaouen, C., & Radi, P. P. (2020). Accurate ground state potential of Cu2 up to the dissociation limit by perturbation assisted double-resonant four-wave mixing. Journal of Chemical Physics, 153(24), 244305 (14 pp.). https://doi.org/10.1063/5.0028908
Atomic scale step structure and orientation of a curved surface ZnO single crystal
Grånäs, E., Arndt, B., Seitz, C., Wagstaffe, M., & Stierle, A. (2020). Atomic scale step structure and orientation of a curved surface ZnO single crystal. Journal of Chemical Physics, 152(7), 074705 (6 pp.). https://doi.org/10.1063/1.5138909
CP2K: an electronic structure and molecular dynamics software package - quickstep: efficient and accurate electronic structure calculations
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., … Hutter, J. (2020). CP2K: an electronic structure and molecular dynamics software package - quickstep: efficient and accurate electronic structure calculations. Journal of Chemical Physics, 152(19), 194103 (47 pp.). https://doi.org/10.1063/5.0007045
Multi-length-scale x-ray spectroscopies for determination of surface reactivity at high voltages of LiNi&lt;sub&gt;0.8&lt;/sub&gt;Co&lt;sub&gt;0.15&lt;/sub&gt;Al&lt;sub&gt;0.05&lt;/sub&gt;O&lt;sub&gt;2&lt;/sub&gt; vs Li&lt;sub&gt;4&lt;/sub&gt;Ti&lt;sub&gt
Mirolo, M., Vaz, C. A. F., Novák, P., & El Kazzi, M. (2020). Multi-length-scale x-ray spectroscopies for determination of surface reactivity at high voltages of LiNi0.8Co0.15Al0.05O2 vs Li4Ti5O12. Journal of Chemical Physics, 152(18), 184705 (13 pp.). https://doi.org/10.1063/5.0006269
Interface stabilization via lithium bis(fluorosulfonyl)imide additive as a key for promoted performance of graphiteǁLiCoO&lt;sub&gt;2&lt;/sub&gt; pouch cell under −20°C
Pham, H. Q., Chung, G. J., Han, J., Hwang, E. H., Kwon, Y. G., & Song, S. W. (2020). Interface stabilization via lithium bis(fluorosulfonyl)imide additive as a key for promoted performance of graphiteǁLiCoO2 pouch cell under −20°C. Journal of Chemical Physics, 152(9), 094709 (10 pp.). https://doi.org/10.1063/1.5144280
Conformers, electronic states, and diabolical conical intersections in the valence photoelectron spectroscopy of halocyclohexanes
Wu, X., Zhou, X., Hemberger, P., & Bodi, A. (2020). Conformers, electronic states, and diabolical conical intersections in the valence photoelectron spectroscopy of halocyclohexanes. Journal of Chemical Physics, 153(5), 054305 (11 pp.). https://doi.org/10.1063/5.0018293
 

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