The curvature of the conical intersection seam: An approximate second-order analysis

Journal of Chemical Physics

Volumn 121, Issue 23, 2004, Pages 11562-11571

  Paterson, Martin J ^a   Bearpark, Michael J ^a   Robb, Michael A ^a   Blancafort, Lluis ^b  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF GIRONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEMICAL BONDS; COMPOSITION; OPTIMIZATION; PHOTOCHEMICAL REACTIONS; POTENTIAL ENERGY;

BORN-OPPENHEIMER; CONICAL INTERSECTIONS (CI); POTENTIAL-ENERGY SURFACES; SECOND-ORDER ANALYSIS;

MOLECULAR STRUCTURE;

EID: 11044233631     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1813436     Document Type: Article

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