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| 2009 | ||
|---|---|---|
| 3 | Mikaël Kepenekian, Vincent Robert, Boris Le Guennic, Coen de Graaf: Energetics of [Fe(NCH)6]2+ via CASPT2 calculations: A spin-crossover perspective. Journal of Computational Chemistry 30(14): 2327-2333 (2009) | |
| 2008 | ||
| 2 | Núria Queralt, David Taratiel, Coen de Graaf, Rosa Caballol, Renzo Cimiraglia, Celestino Angeli: On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes. Journal of Computational Chemistry 29(6): 994-1003 (2008) | |
| 2004 | ||
| 1 | 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) | |
Colors in the list of coauthors
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