Effect of temperature and pressure on the structure, dynamics, and hydrogen bond properties of liquid N-methylacetamide: A molecular dynamics study

Journal of Chemical Physics

Volumn 134, Issue 15, 2011, Pages

  Pattanayak, Subrat Kumar ^a   Prashar, Nidhi ^b   Chowdhuri, Snehasis ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY BHUBANESWAR   (India)

^b THAPAR UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ARRHENIUS; ARRHENIUS BEHAVIORS; BOND PROPERTIES; CLASSICAL MOLECULAR DYNAMICS; DYNAMICAL PROPERTIES; EFFECT OF TEMPERATURE; HIGHER TEMPERATURES; HYDROGEN BOND ENERGY; LIQUID N-METHYLACETAMIDE; LOW TEMPERATURES; ORIENTATIONAL RELAXATION; PRESSURE AND TEMPERATURE; RADIAL DISTRIBUTION FUNCTIONS; ROTATIONAL MOTION; SELF-DIFFUSION COEFFICIENTS; SINGLE PARTICLE; STRUCTURE AND DYNAMICAL PROPERTIES;

DISTRIBUTION FUNCTIONS; HYDROGEN; LIQUIDS; MOLECULAR DYNAMICS; PRESSURE EFFECTS; RELAXATION PROCESSES;

HYDROGEN BONDS;

ACETAMIDE DERIVATIVE; AMMONIA; METHANOL; N METHYLACETAMIDE; N-METHYLACETAMIDE; WATER;

ARTICLE; CHEMISTRY; DIFFUSION; HYDROGEN BOND; MOLECULAR DYNAMICS; PRESSURE; TEMPERATURE;

ACETAMIDES; AMMONIA; DIFFUSION; HYDROGEN BONDING; METHANOL; MOLECULAR DYNAMICS SIMULATION; PRESSURE; TEMPERATURE; WATER;

EID: 79955398563     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3578467     Document Type: Article

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