Browsing Chemistry by Subject "Quantum Dynamics"
Now showing items 1-2 of 2
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Developing a Method to Study Ground State Properties of Hydrogen Clusters
(University of Waterloo, 2014-05-05)This thesis presents the benchmarking and development of a method to study ground state properties of hydrogen clusters using molecular dynamics. Benchmark studies are performed on our Path Integral Molecular Dynamics code ... -
Static and Dynamic Theoretical Studies on Vibronic Model Based Potential Energy Surface(s): Locating Transition Structures and Fundamental Investigations in Time-resolved Spectroscopy
(University of Waterloo, 2017-10-05)Construction and exploration of Potential Energy Surfaces (PES) is central to the study of many interesting chemical phenomena, such as computing the rate of a chemical reaction or elucidating structure of a complex ...