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Full-Text Articles in Physical Sciences and Mathematics
Microwave Spectroscopy Of Cyclohexanecarboxylic Acid, Chlorosulfonic Acid, And Its Interaction With Water, Diego Erik Rodriguez
Microwave Spectroscopy Of Cyclohexanecarboxylic Acid, Chlorosulfonic Acid, And Its Interaction With Water, Diego Erik Rodriguez
Theses and Dissertations
This study combines computational chemistry and microwave spectroscopy to simulate the behavior of two molecules: cyclohexanecarboxylic acid and chlorosulfonic acid. In this thesis, cyclohexanecarboxylic acid will be observed on its own. On the other hand, chlorosulfonic acid will be observed on its own as well as its interaction with one, two, and three water molecules. Chapter 1: Introduction will provide insight on published literature related to cyclohexanecarboxylic acid, chlorosulfonic acid, and perfluoroalkyl substances. Chapter 2: Computational Chemistry will provide the reader with information about the foundation of computational chemistry including theory and development of the science. Chapter 3: Microwave Spectroscopy …
The Rotational Spectrum Of 1,1-Diiodoethane, Michael Joseph Carrillo
The Rotational Spectrum Of 1,1-Diiodoethane, Michael Joseph Carrillo
Theses and Dissertations
The first chapter of this thesis introduces the basic theory of rotational spectroscopy. This includes the theory of a rigid rotor, centrifugal distortion, and hyperfine effects. The theory behind diatomic systems is explained first, and then expanded to the asymmetric top system. The second chapter encompasses a brief overview on the development of microwave spectroscopy and discusses the instruments that were utilized during this study, namely the cavity-based and chirped-pulse Fourier transform microwave spectrometers. Chapter three describes the quantum chemical calculation methods and basis sets that were applied throughout this study. Chapter four discusses the progress of data analysis of …