The Journal of Chemical Physics

High-resolution analysis of the S1–S0 transition of magnesium phthalocyanine: Rotational structure and electronic angular momentum

A comparative study on the isomerization pathways of heteroatom (S, O)-bridged 9-membered and 8-membered cyclic azobenzene photoswitches

Memory kernel non-additivity in the generalized quantum master equation for a system coupled to multiple heat baths

Topological contribution to the split first peak of the liquid water structure factor using the MACE machine-learning potential

Environmental effects in the vibrational shifts of water: From the monomer to models of the bulk

Automated optimization of force field parameters against ensemble-averaged measurements with Bayesian inference of conformational populations

Optical lineshape models and the generalized Einstein relation between absorption and stimulated emission

Electron attachment, thermal detachment, and the electron affinity of the SF6 substitute C4F7N (heptafluoroisobutyronitrile) and related compounds