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.
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, ...
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 ...
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 ...
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 ...
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 ...
Conventional theories of weak polyelectrolytes are either computationally prohibitive to account for the multidimensional inhomogeneity of polymer ionization in a liquid environment or oversimplistic ...
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 ...
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 ...
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, ...
