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Combined Computational and Chemometric study of Benzothiazole molecule by Semiempirical, Hartree –Fock (HF) and Density Functional Theory (DFT) at different levels of basis sets

International journal of applied research · 2015 · Vol. 1(5) · pp. 53–58
Numbury Surendra Babu✉G.Y. Sagar
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Nonlinear Optical Materials ResearchInorganic and Organometallic ChemistryFree Radicals and AntioxidantsBenzothiazoleDensity functional theoryBasis (linear algebra)Hartree–Fock methodComputational chemistryMoleculeChemistryMaterials scienceMathematicsPhysics
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Combined Computational and Chemometric study of Benzothiazole molecule by Semiempirical, Hartree –Fock (HF) and Density Functional Theory (DFT) at different levels of basis sets · Scinovex