Browsing Departament: Química Física i Analítica by Keyword "QTAIM"
Now showing items 1-1 of 1
-
Chemical structure and reactivity by means of quantum chemical topology analysis
Elsevier (2015-02)Chemical structure and bonding are key features and concepts in chemical systems which are used in deriving structure–property relationships, and hence in predicting physical and chemical properties of compounds. Even ...