Advanced Spectroscopic and Theoretical Physics: Post-Graduate and Research Based
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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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£27.18
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