1997•Journal of Molecular ModelingRequires access

The Hydrolysis Mechanism of Formamide Revisited: Comparison Between ab initio, Semiempirical and DFT Results

Serge Antonczak, Manuel F. Ruiz‐López, Jean‐Louis Rivail

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Key concepts: Ab initio, Formamide, Computational chemistry, Density functional theory, Chemistry, Ab initio quantum chemistry methods, Transition state, Catalysis

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