An application of flexible constraints in Monte Carlo simulations of the isobaric-isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model

Journal of Chemical Physics

Volumn 120, Issue 23, 2004, Pages 11133-11143

  Saint Martin, Humberto ^a,b   Hess, Berk ^a   Berendsen, Herman J C ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); ICE; MOLECULAR DYNAMICS; MONTE CARLO METHODS; POLARIZATION; THERMAL EFFECTS; VIBRATION MEASUREMENT;

CHARGE DENSITIES; GAS-PHASE WATER; LIQUID WATER; QUANTUM FORCE FIELD;

LIQUIDS;

EID: 3042600442     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1747927     Document Type: Article

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