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

Theoretical study of the s2-p interaction between tl(i) and olefinic systems on hypothetical [tl(c2h4) 2]+ and [tl(c2h2)n] + (n= 2,3) complexes 

Theoretical study of the protonation of [Pt3(μ-L) 3(L′)3] (L = CO, SO2, CNH; L′ = PH3, CNH) 

Theoretical study of {au3(ch3nacoch3) 3}n.{2,4,7-trinitro-9-?uorenone} (n = 1,2) complexes 

Theoretical study of complexes of the type [Pt3(M-L) 3(L')3]-X (L=CO, SO2,CNH; L'=PH 3,CNH; X=Tl+, Hg0, MPH3+ (M = Cu, Au, Ag)) 

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 the interaction between Pt(0) and MPH3+ fragments in complexes of the [Pt3 (μ-CO)3(PH3)3]-MPH3+ (M = Cu+, Au+, Ag+) type 

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 

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

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