2007 |
4 | EE | Ángel J. Pérez-Jiménez,
José M. Pérez-Jordá,
Ibério de Pinho Ribeiro Moreira,
Francesc Illas:
Merging multiconfigurational wavefunctions and correlation functionals to predict magnetic coupling constants.
Journal of Computational Chemistry 28(16): 2559-2568 (2007) |
2004 |
3 | EE | David Muñoz,
Coen de Graaf,
Francesc Illas:
Putting error bars on the Ab Initio theoretical estimates of the magnetic coupling constants: The parent compounds of superconducting cuprates as a case study.
Journal of Computational Chemistry 25(10): 1234-1241 (2004) |
2000 |
2 | EE | Josep Maria Bofill,
Ibério de Pinho Ribeiro Moreira,
Josep Maria Anglada,
Francesc Illas:
Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms.
Journal of Computational Chemistry 21(15): 1375-1386 (2000) |
1997 |
1 | EE | Gianfranco Pacchioni,
Anna Maria Ferrari,
Antonio M. Márquez,
Francesc Illas:
Importance of Madelung potential in quantum chemical modeling of ionic surfaces.
Journal of Computational Chemistry 18(5): 617-628 (1997) |