A pattern for calculating vibrational spectra of organophosphorus compounds within the framework of the DFT/b3LYP method has been described using sarin and soman molecules as examples.
Expressions for the dielectric constant of a pure liquid are obtained from quantum electrodynamics, and compared with those obtained from electrostatic arguments. The Lorentz cavity field is shown to be associated with off-resonance intermolecular exchange of excitation. An application of perturbation theory up to a level including such excitation exchange leads to the Debye equation for pure non-polar liquids, and an analogue of the Onsager equation for polar liquids.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.