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The Journal of Chemical Physics is an international journal that publishes cutting edge research in all areas of modern physical chemistry and chemical physics. The Journal also publishes brief communications of significant new findings, perspectives on the latest advances in the field, and Special Topics.
Featured Articles
Research Article
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October 08 2024
Heqing Tian, Wenguang Zhang et al.
Thermal energy storage and utilization has been widely concerned due to the intermittency, renewability, and economy of renewable energy. In this paper, the potential energy function of binary Na2CO3...
Research Article
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October 03 2024
Zachary M. Faitz, Dasol Im et al.
Action spectroscopies use a readout created by the action of light on the molecules or material rather than optical absorption. Ultrafast 2D photocurrent and 2D fluorescence spectroscopies are two ...
Research Article
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September 27 2024
Yuyao Yang, Ruoqi Zhao et al.
The nitrile (C≡N) stretching vibration is widely used as a site-specific environmental probe of proteins and, as such, many computational studies have been used to investigate the factors that affect ...
Editor's Picks
Rapid Communication
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October 03 2024
Pablo Montero de Hijes, Christoph Dellago et al.
We investigate the density isobar of water and the melting temperature of ice using six different density functionals. Machine-learning potentials are employed to ensure computational affordability. ...
Research Article
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October 02 2024
Aojie Xue, Jiahao Xu et al.
Finite size scaling for a first order phase transition, where a continuous symmetry is broken, is tested using an approximation of Gaussian probability distributions with a phenomenological ...
Rapid Communication
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October 01 2024
Rinipal Kaur, Abigail Ladau et al.
Chemical and physical processes on the surfaces of amorphous solids have been the focus of many studies over the past decades. These studies have established that dynamics in a thin layer near a ...
Most Recent
Erratum
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October 08 2024
A. A. Buchachenko, T. V. Tscherbul et al.
Research Article
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October 08 2024
Javier Carmona-Espíndola, Valeria García-Melgarejo et al.
A new population analysis, ADCHα-I, based on the interpolation between the Hirshfeld (H) and the iterative Hirshfeld (H-I) methods through a parameter α and on the atomic dipole moment corrected ...
Research Article
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October 08 2024
Johan E. Runeson, Thomas J. G. Drayton et al.
We describe how to simulate charge diffusion in organic semiconductors using a recently introduced mixed quantum–classical method, the mapping approach to surface hopping. In contrast to standard ...
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
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