A computational method was used to discover the existence of vibrations, in the context of chemical reactions in condensed phases. It was found that coupled motion of liquid left a unique signature on the spectral density, using the Zwanzig Hamiltonian as a theoretical model and molecular dynamics simulations of a model. Effective frequency of promoting vibration resulted in peak of spectral density.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry