Theoretical Techniques for Determining Precise Thermophysical Properties
Quantum mechanics (QM) calculations, coupled with statistical mechanics (SM), provide a means to obtain thermophysical properties from first principles. Because of the limitations in modern computational resources, many of these properties are obtained for isolated molecules. Despite this limitation...
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Trace: Tennessee Research and Creative Exchange
2007
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Online Access: | http://trace.tennessee.edu/utk_gradthes/293 |