Ab initio molecular dynamics simulation of liquid water and water-vapor interface

Journal of Chemical Physics

Volumn 115, Issue 21, 2001, Pages 9815-9820

  Vassilev, P ^a   Hartnig, C ^a   Koper, M T M ^a   Frechard, F ^a   Van Santen, R A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIMERS; ENTHALPY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONOMERS; NEUTRON DIFFRACTION; OXYGEN; PHASE INTERFACES; PROBABILITY DENSITY FUNCTION; TRANSPORT PROPERTIES; VAPORS;

DENSITY FUNCTIONAL THEORY; ETHALPHY OF VAPORIZATION; LIQUID WATER; MOLECULAR DYNAMIC SIMULATION; ORIENTATIONAL DISTRIBUTIONS; OXYGEN OXYGEN RADIAL DISTRIBUTION FUNCTION; SURFACE WATER DIPOLE; WATER VAPOR INTERFACES;

WATER;

EID: 0035578247     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1413515     Document Type: Article

References (41)