Browsing by Author "Moliner, V."
Now showing items 1-1 of 1
-
Contreras Ramos, Renato; Safont, V. S.; Pérez, Patricia; Andrés, J.; Moliner, V.; Tapia, O. (Elsevier, 1998)Semiempirical Amsterdam Density Functional (ADF) and ab-initio (B3LYP) density functional theory (DFT) calculations are used to analyze the isomerization reaction MCN ⇔ MNC, for M = H, Li and Na systems. A molecular ...