Electronic structure, Raman and infrared spectra, and vibrational assignment of carboplatin. Density functional theory studies

Abstract

The molecular structure, vibrational frequencies, infrared intensities and Raman scattering activities of carboplatin were calculated by the modified mPW1PW91 (mPW) density functional model using several basis sets. The results from natural bond orbital (NBO) analysis have provided new insights into platinum–ligand bonding, the hybridization of atoms and… (More)

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Cite this paper

@inproceedings{Wysokiski2006ElectronicSR, title={Electronic structure, Raman and infrared spectra, and vibrational assignment of carboplatin. Density functional theory studies}, author={Rafał Wysokiński and Janina Kuduk-Jaworska and Danuta Michalska}, year={2006} }