Theoretical X-ray photoelectron spectra of polymers by deMon DFT calculations using the model dimers

This publication has 46 references indexed in Scilit:

• X-ray photoelectron spectroscopy and x-ray emission spectroscopy of poly(ethylene oxide) and poly(vinyl alcohol): experiment and theory
  Macromolecules, 1991
• X-ray photoelectron spectroscopic and theoretical study of the conformational dependence of the valence electronic levels in hexagonal and orthorhombic poly(oxymethylenes)
  Macromolecules, 1989
• Electronic structure of metal-free phthalocyanine: A valence effective Hamiltonian theoretical study
  The Journal of Chemical Physics, 1988
• On the interpretation of polyoxymethylene valence XPS spectra using band calculations
  Chemical Physics Letters, 1988
• Electronic structure of polyimide
  The Journal of Chemical Physics, 1987
• Preliminary theoretical search for possible conformational signatures in the valence X-ray photoelectron spectra of ordered polyethylene surfaces
  Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1987
• Theoretical simulations of the valence XPS spectra of three conformations of polyoxymethylene
  Chemical Physics Letters, 1986
• Polymer Primary Structures Studied by ESCA and EHCO Methods
  Physica Scripta, 1977
• X-ray photoemission study of core-electron relaxation energies and valence-band formation of the linear alkanes. II. Solid-phase measurements
  Physical Review B, 1977
• Core-electron relaxation energies and valence-band formation of linear alkanes studied in the gas phase by means of electron spectroscopy
  Physical Review A, 1976