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 | 2009 | |
|---|---|---|
| j5 |      | Pablo Rivero, Christoph Loschen, Ibério de Pinho Ribeiro Moreira, Francesc Illas: Performance of plane-wave-based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems. Journal of Computational Chemistry 30(14): 2316-2326 (2009) |
| 2007 | ||
| j4 | | 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 | ||
| j3 | | 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 | ||
| j2 | | 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 | ||
| j1 | | 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) |
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