A carregar...
Quantum Roaming in the Complex Forming Mechanism of the Reactions of OH with formaldehyde and methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach
The quantum dynamics of the title reactions are studied using the Ring Polymer Molecular Dynamics (RPMD) method from 20 to 1200 K using recently proposed full dimensional potential energy surfaces which include long range dipole-dipole interactions. A V-shaped dependence of the reaction rate constan...
Na minha lista:
| Publicado no: | J Phys Chem Lett |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6534501/ https://ncbi.nlm.nih.gov/pubmed/30939028 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.9b00555 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|