η5‐P‐ or η4‐P‐Coordination in apically oxygenated phosphoranes? An ab initio study of PH4O−, PH4O− · E (E = Li+, NH4+, and HF) and related fluorinated oxyphosphoranes
- 1 March 1990
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 11 (2) , 249-264
- https://doi.org/10.1002/jcc.540110211
Abstract
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This publication has 18 references indexed in Scilit:
- The density integration approach to populations. A critical comparison of projection populations to populations defined by the theory of atoms in moleculesJournal of Computational Chemistry, 1989
- A study of basis set effects on structures and electronic structures of phosphine oxide and fluorophosphine oxideJournal of Computational Chemistry, 1987
- A theoretical study of model substituted phosphoranes, PH4X: apicophilicities, geometries, and electron densitiesJournal of the American Chemical Society, 1985
- Demarcation and integration of gridded dataComputers & Chemistry, 1985
- Atoms in moleculesAccounts of Chemical Research, 1985
- Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–FJournal of Computational Chemistry, 1983
- Optimization of equilibrium geometries and transition structuresJournal of Computational Chemistry, 1982
- Integrated spatial electron populations in molecules: Application to simple moleculesJournal of Computational Chemistry, 1980
- Nucleophilic additions to phosphine oxides. A model study of anionic trigonal bipyramidal intermediatesJournal of the American Chemical Society, 1976
- Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl ReactionThe Journal of Chemical Physics, 1967