Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling
Caballol, R, Castell, O, Illas, F, de P. R. Moreira, I, Malrieu, J. P
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.10.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.10.1997)
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Journal Article
Ab Initio Study of the Exchange Coupling in Oxalato-Bridged Cu(II) Dinuclear Complexes
Cabrero, J, Ben Amor, N, de Graaf, C, Illas, F, Caballol, R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.11.2000)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.11.2000)
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Journal Article
An iterative difference-dedicated configuration interaction. Proposal and test studies
García, V.M., Castell, O., Caballol, R., Malrieu, J.P.
Published in Chemical physics letters (02.06.1995)
Published in Chemical physics letters (02.06.1995)
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Journal Article
Singlet−Triplet Gap in α-n-Dehydrotoluene and Related Biradicals: An ab Initio Configuration Interaction Study
Cabrero, J, Ben-Amor, N, Caballol, R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.08.1999)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.08.1999)
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Journal Article
Ferrimagnetic coupling in oxamido-bridged Mn(II)Cu(II) compounds: a combined CASPT2 and DDCI study
QUERALT, NÚRIA, DE GRAAF, COEN, CABRERO, JESÚS, CABALLOL, ROSA
Published in Molecular physics (10.07.2003)
Published in Molecular physics (10.07.2003)
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Journal Article
On the quasidiabatic character of average natural orbitals
Garcı́a, V.M., Reguero, M., Caballol, R., Malrieu, J.P.
Published in Chemical physics letters (19.12.1997)
Published in Chemical physics letters (19.12.1997)
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Journal Article
Towards an ab initio description of magnetism in ionic solids
Illas, F, Casanovas, J, García-Bach, MA, Caballol, R, Castell, O
Published in Physical review letters (22.11.1993)
Published in Physical review letters (22.11.1993)
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Journal Article
New evidence of risk factors for community-acquired pneumonia: a population-based study
Almirall, J, Bolibar, I, Serra-Prat, M, Roig, J, Hospital, I, Carandell, E, Agusti, M, Ayuso, P, Estela, A, Torres, A, Community-Acquired Pneumonia in Catalan Countries (PACAP) Study Group
Published in The European respiratory journal (01.06.2008)
Published in The European respiratory journal (01.06.2008)
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Journal Article
A general bridge between configuration interaction and coupled-cluster methods: a multistate solution
Adamowicz, L., Caballol, R., Malrieu, J.P., Meller, J.
Published in Chemical physics letters (13.09.1996)
Published in Chemical physics letters (13.09.1996)
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Journal Article
Metal−Ligand Delocalization in Magnetic Orbitals of Binuclear Complexes
Cabrero, Jesús, Calzado, Carmen J, Maynau, Daniel, Caballol, Rosa, Malrieu, Jean Paul
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.09.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.09.2002)
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Journal Article
Toward a variational treatment of the magnetic coupling between centers with elevated spin moments
Bordas, Esther, Caballol, Rosa, Graaf, Coen de, Malrieu, Jean-Paul
Published in Chemical physics (14.03.2005)
Published in Chemical physics (14.03.2005)
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Journal Article