Carmen Sousa

A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

Francesc Viñes, Carmen Sousa, Peng-Bo Liu et al. · The Journal of Chemical Physics · 2005 · 204 citations · Full text

Natural Sciences, Materials Science, Physics +17

Ultrafast Deactivation Mechanism of the Excited Singlet in the Light‐Induced Spin Crossover of [Fe(2,2′‐bipyridine)₃]²⁺

Carmen Sousa, Coen de Graaf, Andrii Rudavskyi et al. · Chemistry - A European Journal · 2013 · 159 citations · Full text

Natural Sciences, Chemistry, Physics +13

Multiconfigurational Perturbation Theory:  An Efficient Tool to Predict Magnetic Coupling Parameters in Biradicals, Molecular Complexes, and Ionic Insulators

Coen de Graaf, Carmen Sousa, Ibério de P. R. Moreira et al. · The Journal of Physical Chemistry A · 2001 · 139 citations

Natural Sciences, Chemistry, Physics +10

Measures of ionicity of alkaline-earth oxides from the analysis of<i>ab initio</i>cluster wave functions

Gianfranco Pacchioni, Carmen Sousa, Francesc Illas et al. · Physical review. B, Condensed matter · 1993 · 110 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

On modelling the interaction of CO on the MgO(100) surface

José A. Mejías, Antonio M. Márquez, Javier Fdez. Sanz et al. · Surface Science · 1995 · 99 citations · Full text

Natural Sciences, Chemistry, Physics +16