Shah, Ketan N.2021-10-262021-10-261983http://hdl.handle.net/10919/106010Although semi-empirical quantum codes have existed for several years now, the computational chemistry has, by and large, remained the subject of major interest for organic chemists and quantum chemists. In this thesis numerous exercises are designed in order to explore various areas of chemical engineering where these quantum chemical software might be successfully utilized. In this sense, the following attempt is a feasibility study to bring these semi-empirical quantum codes to the attention of the chemical engineering community.vii, 133 leavesapplication/pdfenIn CopyrightLD5655.V855 1983.S524Quantum chemistry -- Data processingThesis