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 | The Journal of Chemical Physics |
| Volume | 114 |
| Issue number | 7 |
| DOIs | |
| State | Published - Feb 2001 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases. / Caratzoulas, Stavros; Schwartz, Steven D.
In: The Journal of Chemical Physics, Vol. 114, No. 7, 02.2001, p. 2910-2918.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases
AU - Caratzoulas, Stavros
AU - Schwartz, Steven D
PY - 2001/2
Y1 - 2001/2
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0035249366&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035249366&partnerID=8YFLogxK
U2 - 10.1063/1.1342817
DO - 10.1063/1.1342817
M3 - Article
AN - SCOPUS:0035249366
VL - 114
SP - 2910
EP - 2918
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 7
ER -