A mobile charge densities in harmonic oscillators (MCDHO) molecular model for numerical simulations: The water-water interaction

Journal of Chemical Physics

Volumn 113, Issue 24, 2000, Pages 10899-10912

  Saint Martin, Humberto ^a   Hernández Cobos, Jorge ^a   Bernal Uruchurtu, Margarita I ^b,d   Ortega Blake, Iván ^a   Berendsen, Herman J C ^c  

^a INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

^b NANCY UNIVERSITÉ   (France)

^c UNIVERSITY OF GRONINGEN   (Netherlands)

^d CENTRO DE INVESTIGACIONES QUÍMICAS   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTROSTATICS; MOLECULAR STRUCTURE; POTENTIAL ENERGY; TENSORS; THERMODYNAMIC PROPERTIES; WATER;

INTERMOLECULAR INTERACTIONS; MOBILE CHARGE DENSITIES;

QUANTUM THEORY;

EID: 0343867257     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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