검색결과 : 6건
| No. | Article |
|---|---|
| 1 |
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 |
| 2 |
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 |
| 3 |
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 |
| 4 |
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 |
| 5 |
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 Journal of Physical Chemistry A, 104(44), 9983, 2000 |
| 6 |
Singlet-triplet gap in alpha-n-dehydrotoluene and related biradicals: An ab initio configuration interaction study Cabrero J, Ben-Amor N, Caballol R Journal of Physical Chemistry A, 103(31), 6220, 1999 |