1980•Chemical Physics LettersRequires access

Influence of basis set and electron correlation on calculated barriers to 1,2-hydrogen shifts. The oxoniomethylene cation: A new CH3O+ isomer?

Ross H. Nobes, Leo Radom, William R. Rodwell

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Key concepts: Basis set, Electronic correlation, Chemistry, Intramolecular force, Ab initio, Perturbation theory (quantum mechanics), Computational chemistry, Hydroxymethyl

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Influence of basis set and electron correlation on calculated barriers to 1,2-hydrogen shifts. The oxoniomethylene cation: A new CH3O+ isomer? — Research Paper | ScholarLens