Ab initio molecular dynamics study of water at constant pressure using converged basis sets and empirical dispersion corrections.

The Journal of chemical physics

Volumn 137, Issue 4, 2012, Pages 044506-

  Ma, Zhonghua ^a   Zhang, Yanli ^b   Tuckerman, Mark E ^b  

^a NEW YORK UNIVERSITY   (United States)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS; PRESSURE;

HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; PRESSURE; WATER;

EID: 84871688953     PISSN: None     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4736712     Document Type: Article

References (0)