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 

Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysis 

Theoretical study of copper-carbonyls interaction in CU(CO)N (N=1-2) complexes 

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

Theoretical study of the interaction between Au(I) and I on the [AuI2]--I2 complexes 

Insights into the role of D-A-π-A type pro-aromatic organic dyes with thieno[3,4-b]pyrazine as A acceptor group into dye-sensitized solar-cells. A TD-DFT/periodic DFT study 

Mixed gold(I)-gold(III) complexes with bridging selenido ligands. Theoretical studies of the gold(I)-gold(III) interactions 

Theoretical study of the Au-ethylene interaction 

Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory