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1992•Journal of Molecular Structure THEOCHEMRequires access

Ab initio calculation of protonation and lithiation energy of acetamidoxime

Marina Cotta Ramusino, G. La Manna, O. Tomagnini

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Key concepts: Counterpoise, Tautomer, Ab initio, Protonation, Computational chemistry, Interaction energy, Energy minimization, Basis set

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