Multilayer formulation of the fragment molecular orbital method (FMO)

Journal of Physical Chemistry A

Volumn 109, Issue 11, 2005, Pages 2638-2646

  Fedorov, Dmitri G ^a   Ishida, Toyokazu ^a   Kitaura, Kazuo ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

ERROR ANALYSIS; MONOMERS; MULTILAYERS; OLIGOMERS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; REACTION KINETICS; SUPRAMOLECULAR CHEMISTRY;

COMPUTATIONAL EFFICIENCIES; DECARBOXYLATION; FRAGMENT MOLECULAR ORBITAL METHOD (FMO); FRAGMENTATION;

COMPUTATIONAL METHODS;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE;

MODELS, CHEMICAL; MODELS, MOLECULAR;

EID: 15744373592     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047186z     Document Type: Article

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