Accurate density functional calculation of core electron binding energies: Part V: application to nitriles. Model molecules for polyacrylonitrile revisited
- 1 February 1997
- journal article
- Published by Elsevier in Journal of Electron Spectroscopy and Related Phenomena
- Vol. 83 (2-3) , 227-234
- https://doi.org/10.1016/s0368-2048(96)03096-4
Abstract
No abstract availableThis publication has 24 references indexed in Scilit:
- General atomic and molecular electronic structure systemJournal of Computational Chemistry, 1993
- Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functionsThe Journal of Chemical Physics, 1992
- Experimental and theoretical XPS study of model molecules for poly(methyl methacrylate)Surface and Interface Analysis, 1991
- Density-functional approximation for the correlation energy of the inhomogeneous electron gasPhysical Review B, 1986
- Quantitative models of gas-phase proton-transfer reactions involving alcohols, ethers, and their thio analogs. Correlation analyses based on residual electronegativity and effective polarizabilityJournal of the American Chemical Society, 1984
- Proof thatin density-functional theoryPhysical Review B, 1978
- Core-electron relaxation energies and valence-band formation of linear alkanes studied in the gas phase by means of electron spectroscopyPhysical Review A, 1976
- X-Ray Photoelectron Spectroscopy of the Molecules Containing the C≡N GroupBulletin of the Chemical Society of Japan, 1976
- Electronic structure of polyethylene: Theory and ESCA measurementsThe Journal of Chemical Physics, 1974
- Electron Spectroscopy with Monochromatized X-raysScience, 1972