Article ID Journal Published Year Pages File Type
6877750 Journal of Molecular Graphics and Modelling 2013 7 Pages PDF
Abstract
The electronic structures, chiroptical properties and the solvent effect on the CD spectra of diphosphonate-functionalized asymmetric polyoxomolybdates were systematically investigated using time-dependent density functional theory (TDDFT) method.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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TDDFT studies on electronic structures, chiroptical properties and solvent effect on the CD spectra of diphosphonate-functionalized polyoxomolybdates
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