Locating transition states on potential energy surfaces by the gentlest ascent dynamics

Chemical Physics Letters

Volumn 583, Issue , 2013, Pages 203-208

  Bofill, Josep Maria ^a   Quapp, Wolfgang ^b   Caballero, Marc ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFERENTIAL EQUATIONS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

HIGHER-ORDER; ON POTENTIALS; PROJECTION OPERATOR; SADDLE POINT; SYSTEM OF ORDINARY DIFFERENTIAL EQUATIONS; TRANSITION STATE; TURNING POINTS;

ORDINARY DIFFERENTIAL EQUATIONS;

EID: 84885636993     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.07.074     Document Type: Article

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