Article ID Journal Published Year Pages File Type
5419144 Journal of Molecular Structure: THEOCHEM 2007 4 Pages PDF
Abstract
Glycoalkaloids are potentially toxic secondary plant metabolites found in potatoes, tomatoes, and eggplants. γ-Solanine is the product of the mild hydrolysis of these glycoalkaloids and a very important precursor for the synthesis of hormones and some pharmacologically active compounds. In this work, we make use of a new model chemistry within Density Functional Theory, which is called CHIH-DFT, to calculate the dipole moment, polarizability and hyperpolarizability of γ-solanine.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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