کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5160460 1501681 2017 62 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The vibrational spectroscopic studies and molecular property analysis of l-Phenylalanine using quantum chemical method
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
The vibrational spectroscopic studies and molecular property analysis of l-Phenylalanine using quantum chemical method
چکیده انگلیسی
Raman and IR technique have been used to study the vibrational wave numbers. All the normal modes have been assigned and the scaled theoretical results found to be in a good agreement with the experimental findings. The molecular parameters, i.e. the bond lengths and bond angles have been calculated to gain more insights of this molecule. HOMO-LUMO energy gap is also calculated in order to study the electrical properties of the biomolecule. The study is extended to calculate the different thermo-dynamical parameters.117
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1136, 15 May 2017, Pages 182-195
نویسندگان
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