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.
Time domain two-dimensional infrared (2DIR) spectroscopy extends the capabilities of traditional infrared spectroscopy by revealing information on vibrational modes’ anharmonicities, couplings, and ...
Histone modifications play a crucial role in regulating chromatin architecture and gene expression. Here we develop a multiscale model for incorporating methylation in our nucleosome-resolution ...
2H nuclear magnetic resonance (NMR) field-cycling relaxometry and broadband dielectric spectroscopy (BDS) studies show that water dynamics in silica pores with similar diameters (∼6 nm) strongly ...
Nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging are well-established techniques to acquire diverse molecular information, while their potential applications remain ...
The exact quantum dynamics of lattice models can be computationally intensive, especially when aiming for large system sizes and extended simulation times necessary to converge transport ...
A broken time-reversal symmetry, i.e., broken detailed balance, is central to non-equilibrium physics and is a prerequisite for life. However, it turns out to be quite challenging to unambiguously ...
We investigate the performance of coupled-trajectory methods for nonadiabatic molecular dynamics in simulating the photodynamics of 4-(dimethylamino)benzonitrile (DMABN) and fulvene, with electronic ...
We present a mechanistic study of hole spin dynamics in colloidal cadmium selenide (CdSe) nanosheets, aiming to gain insights into the elusive interplay between two counteracting surface effects, ...
The binding behavior of 3-methylcyclopentane-1,2-dione, a cyclic α-diketone with a caramel-like aroma, was investigated to elucidate molecular mechanisms of olfactory recognition. Using ...
