2005•Journal of Chemical SciencesRequires access

Performance of density functional theory methods to describe intramolecular hydrogen shifts

Nelly González‐Rivas, Andrés Cedillo

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Key concepts: Intramolecular force, Fukui function, Basis set, Density functional theory, Hybrid functional, Electrophile, Basis (linear algebra), Computational chemistry

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Performance of density functional theory methods to describe intramolecular hydrogen shifts — Research Paper | ScholarLens