One of the effective instruments for examining atomic and molecular structures and widely used to examine a wide variety of chemicals is spectroscopy. The goal of the current book is to investigate several pharmacological substances utilizing theoretical calculation methods and spectroscopic approaches.

It has also made it possible to use a commercial FT-IR spectrometer's extensive data handling capabilities. These techniques are used to measure the vibrational energy levels in a sample.

Its applications are basic drug research and structural elucidation, formulation development and validation, quality control processes for incoming and outgoing materials, and packaging testing. The goal of obtaining an accurate understanding of the molecules' vibrational spectra is currently the focus of extensive research.

The study of molecular dynamics has greatly been benefited from the density functional theory approach of examining molecular vibrations. This work has determined the vibrational frequencies and various properties of certain prominent natural particles using the Gaussian program, which is developed for performing DFT estimations.

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