O. Castell

发表

Singlet-triplet energy gap in halogen-substituted carbenes and silylenes: a difference-dedicated configuration interaction calculation

R. Caballol, M. Reguero, V. M. García, 1996 .

Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling

J. Malrieu, I. P. R. Moreira, O. Castell, 1997 .

Structural dependence of the singlet-triplet gap in doubly bridged copper dimers: a variational CI calculation

R. Caballol, O. Castell, J. Miralles, 1994 .

Relative stability of the 3A2, 1A2, and 1A1 states of phenylnitrene: A difference‐dedicated configuration interaction calculation

C. Bo, V. M. García, O. Castell, 1996 .

General strategy for the ab initio calculation of exchange coupling in polynuclear complexes

J. Malrieu, K. Handrick, O. Castell, 1994 .

Specific CI calculation of energy differences: Transition energies and bond energies

Jean-Paul Malrieu, O. Castell, J. Malrieu, 1993 .

Ab Initio CI Determination of the Exchange Coupling Constant of Doubly-Bridged Nickel(II) Dimers.

R. Caballol, K. Handrick, V. M. García, 1996, Inorganic chemistry.

An iterative difference-dedicated configuration interaction. Proposal and test studies

J. Malrieu, R. Caballol, V. M. García, 1995 .

Ab Initio Study of Ullman's Nitroxide Biradicals. Exchange Coupling versus Structural Characteristics Analysis

R. Caballol, A. Grand, R. Subra, 1995 .