Efficient softest mode finding in transition states calculations

Journal of Chemical Physics

Volumn 138, Issue 9, 2013, Pages

  Leng, Jing ^a   Gao, Weiguo ^a   Shang, Cheng ^a   Liu, Zhi Pan ^a  

^a FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A TRANSITIONS; CHEMICAL PHYSICS; FIRST PRINCIPLES; HESSIAN MATRICES; OPTIMAL SEARCH; REACTION DYNAMICS; TEST SYSTEMS; TRANSITION STATE;

CONJUGATE GRADIENT METHOD;

DIMERS;

EID: 84874897752     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4792644     Document Type: Article

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