Magnetic properties of composites based on the intercalation of Zn-II and Cu-II bimetallic macrocyclic complexes in the MnPS3 phase 

Ferromagnetic bond of Li-10 cluster: An alternative approach in terms of effective ferromagnetic sites 

Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness 

Condensation of the highest occupied molecular orbital within the electron localization function domains 

Nuclear reactivity indices in the context of spin polarized density functional theory 

Experimental and theoretical study on the substitution reactions of aryl 2,4-dinitrophenyl carbonates with quinuclidines 

Homofugality: A new reactivity index describing the leaving group ability in homolytic substitution reactions 

Structural, electronic and magnetic properties of vacancies in single-walled carbon nanotubes 

Definition of a nucleophilicity scale 

Nucleophilicity scale for n- and pi-nucleophiles