Browsing Τμήμα Χημείας / Department of Chemistry by Author "Dumbravǎ, A."
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Conference Object
DFT study of optical properties of Pt-based complexes
Oprea, C. I.; Dumbravǎ, A.; Moscalu, F.; Nicolaïdes, Andrew N.; Gîrţu, M. A. (2010)We report Density Functional Theory (DFT) calculations providing the geometrical and electronic structures, as well as the vibrational and optical properties of the homologous series of Pt-pyramidalized olefin complexes ...
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Article
Dft study of the optical and vibration spectra of a series of platinum-olefin complexes
Oprea, C. I.; Moscalu, F.; Dumbravǎ, A.; Ioannou, Savvas; Nicolaïdes, Andrew N.; Gîrţu, M. A. (2011)We report Density Functional Theory calculations providing the vibrational and optical properties of the homologous series of Pt-pyramidalized olefin complexes (CH2)n-(C8H10)Pt(PX3)2, where X = H and Ph, and n = 0, 1, 2, ...
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Article
Optical and infrared properties of a series of pyramidalized olefin Pt-complexes - DFT study
Oprea, C. I.; Moscalu, F.; Dumbravǎ, A.; Ioannou, Savvas; Nicolaïdes, Andrew N.; Gîrţu, M. A. (2009)We report Density Functional Theory (DFT) calculations providing the geometrical and electronic structures, as well as the vibrational and optical properties of the homologous series of Pt-pyramidalized olefin complexes ...