Density Functional Theory Studies on the Reaction Mechanisms of Silver Ions with Ethylene in Facilitated Transport Membranes: A Modeling Study
Authors:
- 12 September 2001
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 105 (39) , 9024-9028
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Density functional theory studies on the dissociation energies of metallic salts: relationship between lattice and dissociation energiesJournal of Computational Chemistry, 2001
- Reversible olefin complexation by silver ions in dry poly(vinyl methyl ketone) membrane and its application to olefin/paraffin separationsChemical Communications, 2000
- Reactive polymer membranes containing cuprous complexes in olefin/paraffin separationChemical Communications, 2000
- Analysis of facilitated transport in polymeric membrane with fixed site carrier 2. Series RC circuit modelJournal of Membrane Science, 1996
- Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field CalculationsThe Journal of Physical Chemistry, 1996
- Intermolecular interactions from a natural bond orbital, donor-acceptor viewpointChemical Reviews, 1988
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B, 1988
- Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsThe Journal of Chemical Physics, 1985
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964