An SCFab initio investigation of the ?through-water? interaction of the phosphate anion with the Na+ cation
- 1 January 1978
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 47 (3), 175-192
- https://doi.org/10.1007/bf00577160
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Interactions in a phosphate—water—cation systemChemical Physics Letters, 1977
- Cation binding to biomoleculesTheoretical Chemistry Accounts, 1977
- Cation-ligand interactions: Ab Initio SCF studies of the binding properties of alkali, alkaline-earth, and ammonium ionsInternational Journal of Quantum Chemistry, 1976
- Hydrogen bond studies. XCVI. X–N maps and ab initio MO–LCAO–SCF calculations of the difference electron density in noncentrosymmetric lithium formate monohydrate, LiHCOO.H2OActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1975
- Quantum-mechanical studies of environmental effects on biomolecules VI.Ab initio Studies on the hydration scheme of the phosphate groupTheoretical Chemistry Accounts, 1975
- Binding of cations and the conformation of the phosphodiester linkageTheoretical Chemistry Accounts, 1975
- An ab initio study of the effect of the 3d orbitals of phosphorus on the properties of the phosphate groupTheoretical Chemistry Accounts, 1975
- Water Molecule InteractionsThe Journal of Chemical Physics, 1970
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Molecular-Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2OThe Journal of Chemical Physics, 1968