APT a next generation QM-based reactive force field model

Molecular Physics

Volumn 105, Issue 2-3, 2007, Pages 301-324

  Rappe A K ^a   Bormann Rochotte, L M ^a   Wiser, D C ^a   Hart, J R ^a   Pietsch, M A ^a   Casewit, C J ^a   Skiff, W M ^a  

^a Department of Environmental and Radiological Health Sciences   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATION THEORY; ELECTROSTATICS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; POLYMERIZATION;

APPROXIMATE PAIR THEORY (APT); BOND STRETCH; REACTIVE FORCE FIELD MODEL;

QUANTUM THEORY;

EID: 33947390341     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701201106     Document Type: Conference Paper

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