Consistent van der Waals Radii for the Whole Main Group

作者: Manjeera Mantina , Adam C. Chamberlin , Rosendo Valero , Christopher J. Cramer , Donald G. Truhlar

DOI: 10.1021/JP8111556

关键词: Atomic radiusElectronic structureSpace-filling modelAtomic physicsVan der Waals strainChemistryVan der Waals surfaceGroup (periodic table)Van der Waals radiusRadius

摘要: … Atomic radii are not precisely defined but are nevertheless widely used parameters in modeling and understanding molecular structure and interactions. The van der Waals …

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