Browsing 2017 MU theses - Freely available online by Title "Computational study of infrared spectra of silica polymorphs via classical mechanics"
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Computational study of infrared spectra of silica polymorphs via classical mechanics
(University of Missouri--Columbia, 2017)A potential energy model that correctly reflects zeolite framework interactions is the premise for computational studies of the physical and chemical processes occurring inside zeolites, such as catalytic chemical reactions ...