CASSCF calculations for photoinduced processes in large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximations

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Title: CASSCF calculations for photoinduced processes in large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximations
Authors: Bearpark, MJ
Ogliaro, F
Vreven, T
Boggio-Pasqua, M
Frisch, MJ
Larkin, SM
Morrison, M
Robb, MA
Item Type: Journal Article
Issue Date: 15-Aug-2007
URI: http://hdl.handle.net/10044/1/10098
DOI: http://dx.doi.org/10.1016/j.jphotochem.2007.05.008
ISSN: 1010-6030
Publisher: ELSEVIER SCIENCE SA
Start Page: 207
End Page: 227
Journal / Book Title: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
Volume: 190
Issue: 2-3
Copyright Statement: © 2007 Elsevier B.V. All rights reserved. NOTICE: this is the author’s version of a work that was accepted for publication in Journal of photochemistry and photobiology A: Chemistry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published Journal of photochemistry and photobiology A: Chemistry, Vol. 190, Issue 2-3, (2007) DOI 10.1016/j.jphotochem.2007.05.008
Appears in Collections:Chemistry



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