Browsing Department of Chemistry by Author "Ghio, Caterina"

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AB INITIO and DFT computational study of Myristinin A and A structurally- related molecule

Tshilande, Neani (2019-09-20)

The computational study of biologically active molecules is particularly important for drug development because it provides crucial information about the properties of a molecule, which determine its biological activities. ...
Computational studies sulfonylureas molecules

Vukeya, Thembani Silas (2021-04)

Computational studies are very important for biologically active molecules and for the development of new drugs, because the biological activities depend on their molecular structures and properties. This work presents the ...
Computational study of antimalarial alkaloids of plant origin

Bilonda, Kabuyi Mireille (2019-05-15)

This thesis is concerned with the computational study of naphthylisoquinoline alkaloids having antimalarial properties. The study was considered interesting because of the importance of gathering information on antimalarial ...
Computational study of the molecules of selected acylated phloroglucinols in vacuo and in solution

Kabanda, Mwombeki Mwadham (2012-12-19)
Study of frontier orbitals and close-to-homo orbitals of acylphloroglucinols

Tshiwawa, Tendamudzimu (2015-01-13)

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