Kosmas Prassides, Fred Wudl, et al.
Fullerene Science and Technology
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.
Kosmas Prassides, Fred Wudl, et al.
Fullerene Science and Technology
Jürg Hutter, Paolo Carloni, et al.
JACS
Jorge Kohanoff, Wanda Andreoni, et al.
Chemical Physics Letters
Paolo Carloni, Michiel Sprik, et al.
Journal of Physical Chemistry B