Molecular grand-canonical ensemble density functional theory and exploration of chemical space

Journal of Chemical Physics

Volumn 125, Issue 15, 2006, Pages

  Von Lilienfeld, O Anatole ^a,b   Tuckerman, Mark E ^a,b,c  

^a NEW YORK UNIVERSITY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FUKUI FUNCTION; IONIC DISPLACEMENTS; NUCLEAR HARDNESS;

AMMONIA; CHEMICAL COMPOUNDS; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC PROPERTIES; MAXWELL EQUATIONS; PROBABILITY DENSITY FUNCTION;

MOLECULAR STRUCTURE;

EID: 33750193383     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2338537     Document Type: Article

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