The Journal of Chemical Physics
Articles in this Issue
Molecular structure, binding, and disorder in TDBC–Ag plexcitonic assemblies
Plexcitonic assemblies are hybrid materials composed of a plasmonic nanoparticle and molecular or semiconducting emitters whose electronic transitions are strongly coupled to the plasmonic mode. This...
Isomerization dynamics of dicationic CS2 and OCS driven by electron-impact
The isomerization of dications of CS2 and OCS is investigated using combined experimental and theoretical methods. The dications were generated by a high-energy electron pulse and the fragment ions we...
Silicon doping assisted phase transition of <i>h</i> -BN to <i>c</i> -BN via thermal annealing
Heteroatom doping in hexagonal boron nitride (h-BN) films has been regarded as an effective solution to adjust their electrical and optical properties for realizing applications in various technologie...
Coupled internal energy modes in DSMC
The Landau–Teller model for vibrational energy relaxation of gases toward equilibrium is a first-order kinetic model where the rate of relaxation is proportional to the current defect between the ener...
A density-based continuous local symmetry measure
Although continuous symmetry theory has attracted increasing attention in modern chemistry, local symmetry remains under-investigated. As a consequence, the relationship between symmetry and chemical...
Green–Kubo relation in a mesoscale odd fluid model
Fluids, characterized by broken time-reversal and parity symmetries, exhibit odd transport phenomena where longitudinal drivings can induce transverse fluxes. Recently, a mesoscale model called chiral...
Polaron-mediated exciton dynamics of P(NDI2OD-T2) unveiled by transient absorption spectroscopy under electrochemical conditions
Granted by the suitable characteristics of its electronic band structure, high electron mobility, and remarkable durability, P(NDI2OD-T2) stands out among conjugated polymers and is regarded as a prom...
Molecular origins of capillary wave structure and interfacial viscosity at surfactant-laden oil–water interfaces
Capillary wave theory has been employed to study the concentration dependent effects of surfactants upon the spatial structure and temporal dynamics of surfactant laden oil–water interfaces. Surface c...