Browsing Theses and Dissertations (Biochemistry) by Author "Ramusi, Matome Jack"

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Computational studies of structural properties of both calciumoxide and calcium suphide

Ramusi, Matome Jack (University of Limpopo (Turfloop Campus), 2006)

In this work, we are studying the properties of CaS and CaO structures in both atomistic simulation and Density Functional Theory. Defects formation (vacancies, impurity and interstitial) will be mechanism studied by using ...