Caricamento...
Incorporation of a QM/MM Buffer Zone in the Variational Double Self-Consistent Field Method
The explicit polarization (X-Pol) potential is an electronic-structure-based polarization force field, designed for molecular dynamics simulations and modeling of biopolymers. In this approach, molecular polarization and charge transfer effects are explicitly treated by a combined quantum mechanical...
Salvato in:
| Autori principali: | , , , |
|---|---|
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2008
|
| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2725410/ https://ncbi.nlm.nih.gov/pubmed/18937511 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp804512f |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !
|