Integrating steepest-descent reaction pathways for large molecules

Journal of Chemical Physics

Volumn 134, Issue 20, 2011, Pages

  Hratchian, Hrant P ^a   Frisch, Michael J ^a  

^a GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CENTERS; COST PROHIBITIVE; DIAGONALIZATIONS; ENZYME-CATALYZED REACTIONS; LARGE SYSTEM; MATRIX; MODEL CHEMISTRY; MOLECULAR SYSTEMS; PREDICTOR CORRECTOR; REACTION PATHS; REACTION PATHWAYS;

QUANTUM CHEMISTRY; SODIUM;

ATOMS;

EID: 79958092055     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3593456     Document Type: Article

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