The electronic structure of PtCl2(NH3)2 (cis and trans isomers): an SCFXα study

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.

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A molecular orbital study ofcisandtransdiaminodichloroplatinum(II)

El-Issa

Makhyoun

Salsa

1987

Int J of Quantum Chemistry

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Thermodynamic functions of gaseous beryllium, titanium and germanium organometallic molecules

1983

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The role of aziridinyl cyclophosphazenes and related compounds as anticancer agents. A tentative quantum mechanical approach

Guerch

Faucher

Graffeuil

et al. 1982

Journal of Molecular Structure: THEOCHEM

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The electronic structure of PtCl2(NH3)2 (cis and trans isomers): an SCFXα study

Cited by 6 publications

References 4 publications

A molecular orbital study ofcisandtransdiaminodichloroplatinum(II)

A molecular orbital study ofcisandtransdiaminodichloroplatinum(II)

Thermodynamic functions of gaseous beryllium, titanium and germanium organometallic molecules

The role of aziridinyl cyclophosphazenes and related compounds as anticancer agents. A tentative quantum mechanical approach

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