Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells† 

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

Unraveling the nature of the catalytic power of fluoroacetate dehalogenase 

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

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

Theoretical study on electronic spectra and interaction in [Au 3]-L-[Au3] (L = C6F6,Ag+) complexes 

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

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