Hydrogen bonded structure and dynamics of liquid-vapor interface of water-ammonia mixture: An ab initio molecular dynamics study

Journal of Chemical Physics

Volumn 135, Issue 11, 2011, Pages

  Chakraborty, Debashree ^a,b   Chandra, Amalendu ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; AMMONIA MOLECULES; BOND LIFETIME; DYNAMICAL PROPERTIES; HYDROGEN BOND DISTRIBUTION; HYDROGEN-BONDED STRUCTURES; INHOMOGENEOUS DENSITY; INTERFACIAL MOLECULES; INTERFACIAL REGION; INTERFACIAL SYSTEMS; LIQUID-VAPOR; LIQUID-VAPOR INTERFACE; ORIENTATION RELAXATION; ORIENTATIONAL RELAXATION; SPECIFIC ORIENTATION; SPECTRAL DIFFUSION; TIME CORRELATIONS; TIME-SCALES;

AMMONIA; DIFFUSION; DYNAMICS; LIQUIDS; MIXTURES; MOLECULAR DYNAMICS; MOLECULES; PHASE INTERFACES; WATER VAPOR;

HYDROGEN BONDS;

EID: 80053177141     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3637499     Document Type: Article

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