Cargando...

Description of phosphate hydrolysis reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) theory. 1. Parameterization

Phosphate chemistry is involved in many key biological processes yet the underlying mechanism often remains unclear. For theoretical analysis to effectively complement experimental mechanistic analysis, it is essential to develop computational methods that can capture the complexity of the underlyin...

Descrición completa

Gardado en:
Detalles Bibliográficos
Main Authors: Yang, Yang, Yu, Haibo, York, Darrin, Elstner, Marcus, Cui, Qiang
Formato: Artigo
Idioma:Inglês
Publicado: 2008
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2665970/
https://ncbi.nlm.nih.gov/pubmed/19352441
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct800330d
Tags: Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!