Compatibility of Quantum Chemical Methods and Empirical (MM) Water Models in Quantum Mechanics/Molecular Mechanics Liquid Water Simulations (2009)

First Author: Shaw K
Attributed to:  Multiscale Ensemble Computing for Modelling Biological Catalysts funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/jz900096p

Publication URI: http://dx.doi.org/10.1021/jz900096p

Type: Journal Article/Review

Parent Publication: The Journal of Physical Chemistry Letters

Issue: 1