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

Quantum chemistry simulation of the electronic properties in [Au(NH3)(2)]NO3 and [Au(NCH)(2)][AuCl4] extended unsupported complexes 

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

A Computationally Efficient and Reliable Bond Order Measure 

Unraveling the nature of the catalytic power of fluoroacetate dehalogenase 

Theoretical exploration of the forces governing the interaction between gold–phthalocyanine and gold surface clusters 

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

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

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