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Publications

2 resultats trouvés
Auteur Titre Type [ Année(Desc)]
Filtres: Auteur est Cordova, Felipe  [Clear All Filters]
2007
Troubleshooting time-dependent density-functional theory for photochemical applications: Oxirane., Cordova, Felipe, L Doriol Joubert, Ipatov Andrei, Casida Mark E., Filippi Claudia, and Vela Alberto. , J. Chem. Phys., Volume 127, Number 16, p.164111/1–164111/18, (2007)
2009
Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states., Ipatov, Andrei, Cordova Felipe, Doriol Loic Joubert, and Casida Mark E. , J. Mol. Struct. THEOCHEM, Volume 914, Number 1-3, p.60–73, (2009)