A carregar...
Progress toward chemical accuracy in the computer simulation of condensed phase reactions.
We describe a procedure for the generation of chemically accurate computer-simulation models to study chemical reactions in the condensed phase. The process involves (i) the use of a coupled semiempirical quantum and classical molecular mechanics method to represent solutes and solvent, respectively...
Na minha lista:
| Main Authors: | , , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
1996
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC39675/ https://ncbi.nlm.nih.gov/pubmed/11607654 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|