Large scale MP2 calculations with fragment molecular orbital scheme

Chemical Physics Letters

Volumn 396, Issue 4-6, 2004, Pages 473-479

  Mochizuki, Yuji ^a   Koikegami, Shigeru ^a   Nakano, Tatsuya ^b   Amari, Shinji ^a   Kitaura, Kazuo ^c  

^a INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^b Food Chem Natl Inst Hlth S   (Japan)

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

Author keywords

[No Author keywords available]

Indexed keywords

PROTEIN;

ALGORITHM; ARTICLE; CALCULATION; ELECTRON; MOLLER PLESSET PERTURBATION THEORY; THEORY;

EID: 7444229861     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.08.082     Document Type: Article

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