Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1236140 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2007 | 4 Pages |
Abstract
Glycoalkaloids are toxic secondary plant metabolites found in potatoes, tomatoes, and eggplants and they are considered potential precursors of steroids for applications in bionanotechnology. In this work, we make use of a new model chemistry within density functional theory, which is called CHIH-DFT, to calculate the molecular structure of γ-solanine, as well to predict its infrared (IR) and ultraviolet (UV–vis) spectra, and some other electronic parameters.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Daniel Glossman-Mitnik,