Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles

Journal of Chemical Physics

Volumn 116, Issue 4, 2002, Pages 1493-1499

  Xantheas, Sotiris S ^a   Burnham, Christian J ^a   Harrison, Robert J ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; ISOMERS; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

CORE VALENCE CORRELATION; HEXAMER ISOMERS; SECOND ORDER PERTURBATION; TRANSFERABLE INTERACTION MODEL;

WATER;

EID: 0037154363     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1423941     Document Type: Article

References (31)