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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Bibliographic Details
Main Author: Kassaee, Mohamad Hadi
Published: Trace: Tennessee Research and Creative Exchange 2007
Subjects:
Online Access:http://trace.tennessee.edu/utk_gradthes/293