Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methods

Journal of Chemical Physics

Volumn 122, Issue 2, 2005, Pages

  Zhang, Yingkai ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY ATOMS; COVALENT BONDS; PSEUDOBOND; VALENCE ELECTRONS;

CALCULATIONS; CHEMICAL BONDS; ELECTRONS; FLUORINE; INTERFACES (MATERIALS); MOLECULES; PROBABILITY DENSITY FUNCTION; PROTEINS;

QUANTUM THEORY;

EID: 22944472113     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1834899     Document Type: Article

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