| 1 |
Quantum Chemical Study of the Interligand Electron Transfer in Ru Polypyridyl Complexes
Alcover-Fortuny G, Wu JF, Caballol R, de Graaf C
Journal of Physical Chemistry A, 122(4), 1114, 2018 |
| 2 |
Role of the Imide Axial Ligand in the Spin and Oxidation State of Manganese Corrole and Corrolazine Complexes
Alcover-Fortuny G, Caballol R, Pierloot K, de Graaf C
Inorganic Chemistry, 55(11), 5274, 2016 |
| 3 |
Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians
Malrieu JP, Caballol R, Calzado CJ, de Graaf C, Guihery N
Chemical Reviews, 114(1), 429, 2014 |
| 4 |
Extraction of Magnetic Coupling Parameters in 2-Dimensional Magnetic Honeycomb Layers
Negodaev I, de Graaf C, Caballol R
Journal of Physical Chemistry A, 114(28), 7553, 2010 |
| 5 |
On the Heisenberg behaviour of magnetic coupling in the manganese dimer
Negodaev I, de Graaf C, Caballol R
Chemical Physics Letters, 458(4-6), 290, 2008 |
| 6 |
Analysis of the magnetic coupling in binuclear complexes. I. Physics of the coupling
Calzado CJ, Cabrero J, Malrieu JP, Caballol R
Journal of Chemical Physics, 116(7), 2728, 2002 |
| 7 |
Analysis of the magnetic coupling in binuclear complexes. II. Derivation of valence effective Hamiltonians from ab initio CI and DFT calculations
Calzado CJ, Cabrero J, Malrieu JP, Caballol R
Journal of Chemical Physics, 116(10), 3985, 2002 |
| 8 |
Metal-ligand delocalization in magnetic orbitals of binuclear complexes
Cabrero J, Calzado CJ, Maynau D, Caballol R, Malrieu JP
Journal of Physical Chemistry A, 106(35), 8146, 2002 |
| 9 |
Excitation energy dedicated molecular orbitals. Method and applications to magnetic systems
Calzado CJ, Malrieu JP, Cabrero J, Caballol R
Journal of Physical Chemistry A, 104(49), 11636, 2000 |
| 10 |
The controversial ground state of tetramethyleneethane. An ab initio CI study
Rodriguez E, Reguero M, Caballol R
Journal of Physical Chemistry A, 104(26), 6253, 2000 |
