Temperature-dependent water structure: Ab initio and empirical model predictions

Chemical Physics Letters

Volumn 405, Issue 4-6, 2005, Pages 294-299

  Mantz, Yves A ^a   Chen, Bin ^b   Martyna, Glenn J ^a  

^a IBM T J WATSON RESEARCH CENTER   (United States)

^b LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; MOLECULAR PHYSICS; THERMAL EFFECTS;

EMPIRICAL RIGID MODEL; LIQUID WATER; QUANTUM NUCLEI; WATER MOLECULES;

WATER;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; EMPIRICISM; HYDROGEN BOND; MATHEMATICAL MODEL; QUANTUM THEORY; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; THEORETICAL MODEL; WATER STRUCTURE;

EID: 15944407594     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.02.050     Document Type: Article

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