1985•Journal of Molecular Structure THEOCHEMRequires access

Basis set superposition effects in electronic Populations Calculated on Hydrogen Bonded Systems

Fernando Valle, S. Tolosa, J. Espinosa-Garcı́a

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Key concepts: Counterpoise, Superposition principle, Basis (linear algebra), Basis set, Ab initio, Set (abstract data type), Hydrogen, Computational chemistry

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Basis set superposition effects in electronic Populations Calculated on Hydrogen Bonded Systems — Research Paper | ScholarLens