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1986•Journal of Molecular StructureRequires access

ESR study and ab initio calculations of some methylbenzoates derivatives.

C. Sieiro, Angela Sánchez-Palacios, Paloma Calle, José M. Garcı́a de la Vega

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Key concepts: Chemistry, Ab initio, Computational chemistry, Basis set, Ab initio quantum chemistry methods, Planar, Gaussian orbital, Molecule

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