"Optimization of conical intersections using the semiempirical MNDOC-CI ..."

Roberto Izzo, Martin Klessinger (2000)

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DOI: 10.1002/(SICI)1096-987X(20000115)21:1<52::AID-JCC6>3.0.CO;2-7

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type: Journal Article

metadata version: 2020-04-01

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Roberto Izzo, Martin Klessinger:
Optimization of conical intersections using the semiempirical MNDOC-CI method with analytic gradients. J. Comput. Chem. 21(1): 52-62 (2000)

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