Browsing Theses and Dissertations (MU) by Thesis Advisor "Thompson, Donald L. (Donald Leo)"
Now showing items 1-3 of 3
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Exploring chemical reaction complexity : application to hydrogen combustion
(University of Missouri--Columbia, 2017)The aim of this research is to gain insight into hydrogen combustion as a prototype of complex chemistry via classical molecular dynamics (CMD) simulations given the presently available reactive force field, ReaxFF. We ... -
Molecular Dynamics Simulations of the Hydrogen Peroxyl Radical
(University of Missouri--Columbia, 2014) -
A study of interpolating moving least-squares method on fitting potential energy surface
(University of Missouri--Columbia, 2016)Interpolating moving least-squares method (IMLS) is a highly accurate fitting method. There are a lot of studies on how to use IMLS to fit potential energy surfaces (PESs). However, there are still only few IMLS-fitted ...