A molecular orbital study ofcisandtransdiaminodichloroplatinum(II)

Abstract

The relativistic multiple scattering Xα method has been applied in order to calculate the eigenvalues and the charge densities of cis and trans diaminodichloroplatinum(II). The activity of the cis isomer as an antitumor agent is discussed in terms of the possible modes of coordination of certain fragments of the DNA molecule through the LUMO state of the cis Pt complex. Although possible, coordination of the trans isomer is rendered unlikely as a result of possible strain effects.

Theoretical study of the bonding in sulfur- and oxygen-containing molybdenum species of the general formula MoSnO4-n2- (n = 0-4)

“…Cowan and Griffin27 have applied these approximations to the central-field problem. From the method of Wood and Boring, the spin-orbit coupling term may be ignored and the self-consistent radial term may be used to evaluate the molecular wave function (see Appendix in ref 24). This method is reported to yield a surprisingly good correlation with the exact Slater-Dirac method.…”

“…Can, J. Spectrosc. 1979,24(1), 18. (33) Kutzler, F. W.; Natoli, C. R.; Misemer, D. K.; Doniach, S.; Hodgson, K. O. J, Chem.…”