BCMaterials
Centro (uo)
Publicaciones en las que colabora con Fernando Ruiperez Cillán (9)
2015
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The Electronic Structure of the Al3- Anion: Is it Aromatic?
Chemistry - A European Journal, Vol. 21, Núm. 27, pp. 9610-9614
2013
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Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective
Journal of Chemical Physics, Vol. 138, Núm. 15
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Electronic spectroscopy and electronic structure of diatomic IrSi
Journal of Chemical Physics, Vol. 138, Núm. 15
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Molecules with high bond orders and ultrashort bond lengths: CrU, MoU, and WU
Inorganic Chemistry, Vol. 52, Núm. 6, pp. 2838-2843
2012
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An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical tools
Physical Chemistry Chemical Physics, Vol. 14, Núm. 24, pp. 8732-8741
2011
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Complete vs restricted active space perturbation theory calculation of the Cr2 potential energy surface
Journal of Chemical Theory and Computation, Vol. 7, Núm. 6, pp. 1640-1646
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Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: A CASSCF/CASPT2 study
Inorganic Chemistry, Vol. 50, Núm. 19, pp. 9219-9229
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Matrix infrared spectroscopy and a theoretical investigation of SUO and US2
European Journal of Inorganic Chemistry, pp. 4457-4463
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Pro-oxidant activity of aluminum: Stabilization of the aluminum superoxide radical ion
Journal of Physical Chemistry A, Vol. 115, Núm. 24, pp. 6717-6723