Wanda Andreoni
Journal of Physics and Chemistry of Solids
Carboplatin is a platinum-based drug in common clinical use. Here we present the first ab initio calculation of its molecular properties, namely structural, electronic and vibrational. Comparison of the calculated molecular structure with experimental data taken in the solid phase shows quite good agreement. Comparison of our results on its parent complex, cisplatin, is particularly instructive. Unlike the chlorine ligands in cisplatin, the substituting dicarboxylate strongly participates in the chemically active orbitals. © 1995.
Wanda Andreoni
Journal of Physics and Chemistry of Solids
Alessandro Curioni, Wanda Andreoni
JACS
Alessandro Curioni, Mauro Boero, et al.
Chemical Physics Letters
Wanda Andreoni, Dafna Scharf, et al.
Chemical Physics Letters