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Theoretical Chemistry Accounts

Volumn 102, Issue 1-6, 1999, Pages 309-316

A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry

(6) Lafuente, Pilar a Novoa, Juan J a Bearpark, Michael J b Celani, Paolo b Olivucci, Massimo c Robb, Michael A c

a UNIVERSITY OF BARCELONA (Spain)

b KING'S COLLEGE LONDON (United Kingdom)

c UNIVERSITY OF BOLOGNA (Italy)

Author keywords

CASSCF; Ferromagnetic coupling; Heisenberg Hiltonians

Indexed keywords

EID: 0033452956 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s002140050503 Document Type: Article

Times cited : (5)

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