Noncovalent interactions in inorganic supramolecular chemistry based in heavy metals. Quantum chemistry point of view 

Metallomacrocycle complex bridged polymers: Electronic structures of-[MacM(L)]n 

Theoretical study of the local reactivity of electrophiles of the type MPR 3 + (M=Cu, Ag, Au ;R=-H, -Me, -Ph) 

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

Enhancement of the catalytic activity of fe phthalocyanine for the reduction of O 2 anchored to Au(111) via conjugated self-assembled monolayers of aromatic thiols as compared to Cu phthalocyanine 

Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations 

Theoretical study of electronic spectra of [Pt3(μ-CO) 3(CO)3]n-2 (n = 3-5) complexes 

Theoretical study on electronic spectra and aurophilic attraction in [Au3 (MeN {double bond, long} COMe)3]n (n = 1 s(-) 4) complexes 

Theoretical study in [C2H4-Tl]+ and [C2H2-Tl]+ complexes 

Surface-enhanced vibrational study of azabipiridyl and its Co(II), Ni(II) and Cu(II) complexes