Advanced Spectroscopic and Theoretical Physics: Post-Graduate and Research Based - Softcover

Dhanalakshmi, E.; Kesavan, M.; Rajesh, P.

 
9786207649839: Advanced Spectroscopic and Theoretical Physics: Post-Graduate and Research Based
Softcover
ISBN 10: 6207649834 ISBN 13: 9786207649839
Publisher: LAP LAMBERT Academic Publishing, 2024

Synopsis

The spectroscopic methods are the most powerful and useful techniques employed in the understanding of molecular structure, nature of bonding between the atoms, conformational analysis, and symmetry of molecular groups or ions in crystals and also in biological molecules. In this study, the following spectroscopic techniques such as FT-IR, FT-Raman and UV-Visible analysis by chosen anti-diabetic drugs were recorded and subjected to the new trends of theoretical methods. The combination of spectroscopic method and Density Functional Theory (DFT) calculations is strong tool for better understanding of fundamental vibrational properties of the molecules. The goal of obtaining an accurate understanding vibrational frequencies, molecular structure, Natural Bonding Orbital (NBO) analysis, HOMO-LUMO energy and global activity descriptors of anti-diabetic drugs using the Gaussian program, which is developed for performing DFT estimations.

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Publisher
LAP LAMBERT Academic Publishing
Publication date
2024
Language
English
ISBN 10 
6207649834
ISBN 13 
9786207649839
Binding
Paperback
Number of pages
144