Combined Hartree-Fock quantum mechanical and molecular mechanical molecular dynamics simulations of water at ambient and supercritical conditions

Journal of Chemical Physics

Volumn 113, Issue 24, 2000, Pages 11264-11269

  Tu, Yaoquan ^a   Laaksonen, Aatto ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION;

AMBIENT CONDITIONS; MOLECULAR MECHANICAL FORCE FIELDS;

WATER;

EID: 0034506648     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1326911     Document Type: Article

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