Møller-Plesset perturbation theory gradient in the generalized hybrid orbital quantum mechanical and molecular mechanical method

Journal of Chemical Physics

Volumn 132, Issue 8, 2010, Pages

  Jung, Jaewoon ^a,b   Sugita, Yuji ^c   Ten No, S ^a,b  

^a KOBE UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c RIKEN   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; GENERALIZED HYBRID ORBITALS; OPTIMIZED STRUCTURES; PLESSET PERTURBATION THEORY; PROTEIN KINASE; QM/MM METHOD; QUANTUM MECHANICAL AND MOLECULAR MECHANICAL METHODS; ROTAXANES; SECOND ORDERS;

COMPUTATIONAL GEOMETRY; FETAL MONITORING; ISOMERS; QUANTUM THEORY;

PERTURBATION TECHNIQUES;

EID: 77749327709     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3329370     Document Type: Article

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