First principles investigation of the stability and the chemical behavior of hydrogen in ThCoH<sub>4</sub>
Idioma
en
Article de revue
Este ítem está publicado en
Zeitschrift fur Naturforschung B. 2011, vol. 66, n° 3, p. 269-274
Verlag der Zeitschrift Fuer Naturforschung
Resumen en inglés
We address the changes in the electronic structure brought by the insertion of hydrogen into ThCo leading to the experimentally observed ThCoH<sub>4</sub>. Full geometry optimization positions the hydrogen in three sites ...Leer más >