Chemical Communications · 2019 · 29 citations · 53 references
Natural SciencesChemistryMaterials ScienceCondensed Matter PhysicsPhysical ChemistrySolid-state ChemistryCluster ChemistryCluster CompoundsCoordination ChemistryCrystallographyMolecular StructureMolecular SymmetryBondingBoron ChemistryBoron ClustersCluster GeometryDelocalization TheoryElectron DelocalizationMolecular ClustersTransition Metal Clusters
rings with the metals located at the top and bottom vertices. These structures are the closest approximation of molecular clusters to the elusive icosahedral boron. A detailed analysis of the chemical bonding revealed that the covalent character between the transition metal and the boron framework as well as the strong delocalization throughout the structure enhances the stabilization of the icosahedral form.
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Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations
Accurate Coulomb-fitting basis sets for H to Rn
Florian Weigend · Physical Chemistry Chemical Physics · 2006 · 8.8K citations
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