검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
On the existence of a spin-polarized state in the n-periacene molecules Moscardo F, San-Fabian E Chemical Physics Letters, 480(1-3), 26, 2009 |
| 2 |
The Hellmann-Feynman theorem and its relation with the universal density functional Moscardo F Chemical Physics Letters, 428(1-3), 187, 2006 |
| 3 |
Usefulness of the Colle-Salvetti model for the treatment of the nondynamic correlation Sancho-Garcia JC, Moscardo F Journal of Chemical Physics, 118(3), 1054, 2003 |
| 4 |
High-level ab initio calculations of the torsional potential of glyoxal Sancho-Garcia JC, Perez-Jimenez AJ, Perez-Jorda JM, Moscardo F Chemical Physics Letters, 342(3-4), 452, 2001 |
| 5 |
New approach to the design of density functionals Perez-Jimenez AJ, Moscardo F, Sancho-Garcia JC, Abia LP, San-Fabian E, Perez-Jorda JM Journal of Chemical Physics, 114(5), 2022, 2001 |
| 6 |
Characterizing conformers and torsional potentials of nitrosoformaldehyde and N-nitrosomethanimine Sancho-Garcia JC, Perez-Jimenez AJ, Perez-Jorda JM, Moscardo F Journal of Chemical Physics, 115(8), 3698, 2001 |
| 7 |
Description of C(sp(2))-C(sp(2)) rotation in butadiene by density functionals Sancho-Garcia JC, Perez-Jimenez AJ, Moscardo F Journal of Physical Chemistry A, 105(51), 11541, 2001 |
| 8 |
A comparison between DFT and other ab initio schemes on the activation energy in the automerization of cyclobutadiene Sancho-Garcia JC, Perez-Jimenez AJ, Moscardo F Chemical Physics Letters, 317(3-5), 245, 2000 |
| 9 |
Improvement of multiconfigurational wave functions and energies by correlation energy functionals Moscardo F, Munoz-Fraile F, Perez-Jimenez AJ, Perez-Jorda JM, San-Fabian E Journal of Physical Chemistry A, 102(52), 10900, 1998 |