To study the Cu-Cu interaction and stability of the title complexes,the structures of complexes [Cu(Ph2Ppy)(CH3CN)]+ 1,[Cu(Ph2Ppy)]+ 2,[Cu2(Ph2Ppy)2(CH3CN)2]2+
The adsorption and decomposition of H2S on the ZnO(0001) surface have been investigated with first-principles calculations.The results reveal that H2S is dissoc
Quantum chemistry parameters of 28 alkyl(1-phenylsulfonyl) cycloalkane-carboxy- lates were computed at the 6-31G* level in fully optimal manner using B3LYP meth
A titanocene-ferrocenyl complex, (5-ferrocenyl-2-hydroxybenzenecarboxylato- O,O′)-bis(methylcyclopentadienyl)titanium(IV) 4, and an unexpected ionic complex, [