Abstract
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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 2910-2918 |
| Number of pages | 9 |
| Journal | Journal of Chemical Physics |
| Volume | 114 |
| Issue number | 7 |
| DOIs | |
| State | Published - Feb 2001 |
| Externally published | Yes |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry