2011•Computational and Theoretical ChemistryRequires access

A theoretical study of the hydrogen bonding properties of H2BNH2: Some considerations on the basis set superposition error issue

Ibón Alkorta, Cristina Trujillo, José Elguero, Mohammad Solimannejad

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Key concepts: Counterpoise, Chemistry, Interaction energy, Basis set, Hydrogen bond, Superposition principle, Basis (linear algebra), Computational chemistry

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