A comparative study between post-Hartree–Fock methods and density functional theory in closed-shell aurophilic attraction 

Theoretical study of the aggregation of d(10)-s(2) Au(I)-Tl(I) complexes in extended unsupported chains 

Tailoring electroactive surfaces by non template molecular assembly. Towards electrooxidation of L-cysteine 

Unraveling the nature of the catalytic power of fluoroacetate dehalogenase 

Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials 

Electronic and optical properties of metalloporphyrins of zinc on TiO2 cluster in dye sensitized solar cells (DSSC). A quantum chemistry study 

Theoretical study of the closed-shell d(10)-d(10) Au(I)-Cu(I) attraction in complexes in extended unsupported chains 

Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)(7)](3-) and [Re(CN)(7)](4-) complexes 

Electronic structure and molecular properties of the octacyanorhenate [Re(CN)(8)](3-) and [Re(CN)(8)](2-) complexes 

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