Optimization of Conical Intersections Using the Semiempirical MNDOC-CI Method with Analytic Gradients

Journal of Computational Chemistry

Volumn 21, Issue 1, 2000, Pages 52-62

  Izzo, Roberto ^a   Klessinger, Martin ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Analytic gradients; Conical intersections; Multireference CI; Photoreactions; Semiempirical

Indexed keywords

EID: 0003162896     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(20000115)21:1<52::AID-JCC6>3.0.CO;2-7     Document Type: Article

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