کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5419144 1506971 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
CHIH-DFT determination of the dipole moment, polarizability and hyperpolarizability of γ-solanine
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
CHIH-DFT determination of the dipole moment, polarizability and hyperpolarizability of γ-solanine
چکیده انگلیسی
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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 808, Issues 1–3, 30 April 2007, Pages 81-84
نویسندگان
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