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2001•Journal of Molecular Structure THEOCHEMRequires access

Transition structure for the retroene-type elimination reaction of propene from allylmethylsulfide

Leonardo Jiménez Rodríguez, Rafael Añez, Edgar Ocando‐Mavarez

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Key concepts: Basis set, Transition state, Ab initio, Propene, Density functional theory, Activation energy, Chemistry, Computational chemistry

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