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.
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 ...
We have reanalyzed the rich plethora of ground state configurations of the asymmetric Wigner bilayer system that we had recently published in a related diagram of states [Antlanger et al., Phys. Rev. ...
The cooperative emission of interacting nanocrystals is an exciting topic fueled by recent reports of superfluorescence and superradiance in assemblies of perovskite nanocubes. Several studies ...
Glass-forming liquids exhibit long-lived, spatially correlated dynamical heterogeneity, in which some nm-scale regions in the fluid relax more slowly than others. In the nanoscale vicinity of an ...
In the process of high temperature service, the mechanical properties of cutting tools decrease sharply due to the peeling of the protective coating. However, the mechanism of such coating failure ...
Computational modeling and simulation have become indispensable scientific tools in virtually all areas of chemical, biomolecular, and materials systems research. Computation can provide unique and ...
It has long been postulated that within density-functional theory (DFT), the total energy of a finite electronic system is convex with respect to electron count so that 2Ev[N0] ≤ Ev[N0 − 1] + Ev[N0 + ...
