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Theoretical Chemistry Accounts

Volumn 126, Issue 3, 2010, Pages 185-196

Extending the active space in multireference configuration interaction calculations of magnetic coupling constants

(4) Calzado, Carmen J a Angeli, Celestino b Caballol, Rosa c Malrieu, Jean Paul d

a UNIVERSITY OF SEVILLE (Spain)

b UNIVERSITY OF FERRARA (Italy)

c UNIVERSITAT ROVIRA I VIRGILI (Spain)

d UNIVERSITÉ PAUL SABATIER (France)

Author keywords

Binuclear compounds; Magnetic coupling constants; Truncated CI calculations

Indexed keywords

EID: 77953480958 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-009-0642-9 Document Type: Article

Times cited : (27)

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