QUÍMICA TEÓRICA Y COMPUTACIONAL
QTCOVI
Universitat de Barcelona
Barcelona, EspañaPublicaciones en colaboración con investigadores/as de Universitat de Barcelona (2)
2011
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Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies
Journal of Physical Chemistry A, Vol. 115, Núm. 41, pp. 11331-11343
2002
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Rigorous characterization of oxygen vacancies in ionic oxides
Physical Review B - Condensed Matter and Materials Physics, Vol. 66, Núm. 7, pp. 751031-751036