1992•Journal of Molecular Structure THEOCHEMRequires access

A comparative semiempirical and ab initio study of tautomerization energies. 7-Methyl-2,3,4,7-tetrahydroisothiazolo [5,4b]pyridine-3,4-dione and other models of antibacterial quinolone analogues

V. Harb, Darko Kocjan, D. Hadži

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Key concepts: Tautomer, MNDO, Basis set, Chemistry, Ab initio, Computational chemistry, Pyridine, Ab initio quantum chemistry methods

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A comparative semiempirical and ab initio study of tautomerization energies. 7-Methyl-2,3,4,7-tetrahydroisothiazolo [5,4b]pyridine-3,4-dione and other models of antibacterial quinolone analogues — Research Paper | ScholarLens