Heteroatom Chemistry · 2006 · 16 citations · 15 references
Natural SciencesChemistryComputational ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsChemical BondingCluster ChemistryElectronic StructureMolecular BondingMolecular StructureCluster GeometryElectronic Density Of StatesElectronic Structure AnalysisQuantum Chemical Bond Analysis
Abstract Quantum‐topological analysis based on the nonempirical quantum‐chemical calculations of P 4 clusters in the different electronic states has been done. Changes in the geometric parameters for the different electronic states of the equilibrium phosphorus clusters and structures with the breaking bonds are traced. The PP bonds are quantitatively described. © 2006 Wiley Periodicals, Inc. Heteroatom Chem 17:572–578, 2006; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20279
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General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations
Natural Sciences, Chemistry, Physics +17
A first-order liquid–liquid phase transition in phosphorus
Yoshinori Katayama, Takeshi Mizutani, Wataru Utsumi et al. · Nature · 2000 · 845 citations