Download more than 7 examples of thesis, proposal and project topics about dft in editable WORD file format at undergraduate, graduate and doctoral levels for use and reference in research, articles, theses, student and academic projects.
Thesis for obtaining a master's degree in the field: Chemistry, with a focus on preface. Computational chemistry is a new approach to known and familiar physical and chemical phenomena that can lead to a better understanding of the world around us. Today, with the increasing progress of computers, we are able to study various phenomena in very complex matrices such as biological ...
Master's Thesis / Inorganic Chemistry Abstract Considering the application of nonlinear optical properties (NLO) in technologies such as lasers, remote communication, photovoltaic cells, information processing and holography and the mineral diversity of these materials, we started a research in this field and focused on borazine-containing dyes. Our main goal in this research is ...
Academic Dissertation for Master's Degree in: Organic Chemistry 1-1) Introduction Today, nanotechnology [1] is an attractive subject that has attracted the attention of scientists, industrialists and even ordinary people due to the special properties and practical potentials of these materials. Considering the wide applications of carbon nanotubes, the methods of mass production ...
Dissertation for receiving M.Sc degree) Major: Inorganic Chemistry Dissertation Abstract: We used Density Functional Theory (DFT) method at DFT/6-31G level to investigate the geometric structure, relative energies and electronic properties of possible protropic tautomers in Nexium, Protonix and Lamivudine. The structure and relative energies of tautomers in different solvents ...
(M.SC) Dissertation to receive a master's degree, specialization: organic, abstract of the thesis (including summary, objectives, implementation methods and obtained results): Computational chemistry using computer software is a powerful tool in the design of molecules with special properties. Computational chemistry is a general and general term that includes a wide range of ...
Thesis for obtaining a master's degree in the field: Chemistry, specialization: Analytical Chemistry, Abstract In recent years, the use of nanotubes as nanocarriers for drug delivery has been researched. In this research, carbon nanotubes CNT(5-5), CNT(0-6), BNNT(0-6) and BNNT(5-5) doped with Ga have been used. First, the nanotubes were drawn using Gauss View and Nanotube ...
Dissertation to receive a master's degree in the field: Chemistry, specialization: organic. Abstract In recent years, the use of nanotubes as nanocarriers for drug delivery has been researched. In this research, fullerene C60 and nine different nanotubes have been used as carriers of the drug molecule 8-hydroxyquinoline. First, the structure of HQ-8 drug molecule and nanotubes ...