Ab initio molecular-dynamics study of liquid formamide

Journal of Chemical Physics

Volumn 121, Issue 10, 2004, Pages 4740-4746

  Tsuchida, Eiji ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; COMPUTER SIMULATION; DIFFUSION; DIMERS; FINITE ELEMENT METHOD; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; THERMAL EFFECTS;

BORN-OPPENHEIMER APPROXIMATION; DENSITY-FUNCTIONAL THEORY (DFT); INTERMOLECULAR STRUCTURES; RADIAL DISTRIBUTION FUNCTIONS (RDF);

NITROGEN COMPOUNDS;

EID: 4544272993     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1781612     Document Type: Article

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