Theoretical study of [Hg3(o-C6F4)3]n {benzene} (n = 1, 2) complexes 

Theoretical study of the interaction d(10)-s(2) between Pt(0) and Tl(I) on the [Pt(PH3)(3)Tl](+) complex 

Theoretical study of the d(10)-d(8) interaction between Au(I) and Au(III) on the cis/trans-[PH3Au(I)C(L)=C(L)Au(III)(R)(2)PH3] (R = -H -CH3; L = -H, -CH3) systems 

Complexes self-associate by hydrogen bonding and metallophilic attraction: Theoretical study 

Theoretical EPR study of Nitroindazoles: 3-Alkoxy, 3-Hydroxy and 3-Oxo Derivatives 

Computational studies of the metal-binding site of the wild-type and the H46R mutant of the copper, zinc superoxide dismutase 

Theoretical study of the interaction d10-s2 between Pt(0) and metals on the [Pt(PH3)3M] complexes (M = Hg(0), Au(-I)) 

Theoretical study on the electronic spectrum of [M (CN)2]n- n (M=Au(I), Ag(I); n=1-3) complexes 

Theoretical study of [Hg3(o-C6F4)3]n · {benzene} (n = 1, 2) complexes 

Basis set effects on B3LYP geometries and energies: case study of interstellar reaction HN=CH2 + •C≡N → H2N-C(•)H-C≡N