A carregar...

Efficient treatment of induced dipoles

Most existing treatments of induced dipoles in polarizable molecular mechanics force field calculations use either the self-consistent variational method, which is solved iteratively, or the “direct” approximation that is non-iterative as a result of neglecting coupling between induced dipoles. The...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Simmonett, Andrew C., Pickard, Frank C., Shao, Yihan, Cheatham, Thomas E., Brooks, Bernard R.
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4545078/
https://ncbi.nlm.nih.gov/pubmed/26298123
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4928530
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!