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Theoretical Chemistry Accounts

Volumn 116, Issue 1-3, 2006, Pages 355-372

Ab initio electronic structure theory as an aid to understanding excited state hydrogen transfer in moderate to large systems

(1) Webb, Simon P a

a SAIC FREDERICK INC (United States)

Author keywords

CASSCF; Excited states; Hydrogen transfer; Hypericin; Hypocrellin; MRMP2; Parallel processor CIS; Perylene quinones

Indexed keywords

EID: 33748268342 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-005-0011-2 Document Type: Article

Times cited : (8)

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