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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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December 08 2023
Yiling Wang, Zhenhua Yu et al.
The classical three-stage model of stochastic gene expression predicts the statistics of single cell mRNA and protein number fluctuations as a function of the rates of promoter switching, ...
Research Article
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December 08 2023
Minhaeng Cho
Time-resolved pump–probe and two-dimensional spectroscopy are widely used to study ultrafast chemical and biological processes in solutions. However, the corresponding signals at long times can be ...
Research Article
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December 01 2023
Pooja Verma, Madhubani Mukherjee et al.
We have investigated the impact of microsolvation on shape-type resonance states of nucleobases, taking cytosine as a case study. To characterize the resonance position and decay width of the ...
Editor's Picks
Research Article
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December 04 2023
Dorothy Miaoyu Huang, Austin T. Green et al.
The fewest switches surface hopping (FSSH) method proposed by Tully in 1990 [Tully, J. Chem. Phys. 93 , 1061 (1990)]—along with its many later variations—forms the basis for most practical ...
Research Article
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December 04 2023
Alec E. Sigurdarson, Yorick L. A. Schmerwitz et al.
Density functional calculations of Rydberg excited states up to high energy are carried out for several molecules using an approach where the orbitals are variationally optimized by converging on ...
Research Article
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December 04 2023
Alejandro Gallegos, Marcus Müller et al.
Conventional theories of weak polyelectrolytes are either computationally prohibitive to account for the multidimensional inhomogeneity of polymer ionization in a liquid environment or oversimplistic ...
Most Recent
Research Article
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December 08 2023
Qiming Sun
Separating the Coulomb potential into short-range and long-range components enables the use of different electron repulsion integral algorithms for each component. The short-range part can be ...
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December 08 2023
Lukas Wittmann, Hagen Neugebauer et al.
The regularized and restored semi-local meta-generalized gradient approximation (meta-GGA) exchange–correlation functional r2SCAN [Furness et al., J. Phys. Chem. Lett. 11 , 8208–8215 (2020)] is used ...
Research Article
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December 08 2023
Yiling Wang, Zhenhua Yu et al.
The classical three-stage model of stochastic gene expression predicts the statistics of single cell mRNA and protein number fluctuations as a function of the rates of promoter switching, ...
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