Accurate density functional calculation of core electron binding energies

Christophe Bureau; Delano P. Chong; G. Lécayon; J. Delhalle

doi:10.1016/s0368-2048(96)03096-4

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Accurate density functional calculation of core electron binding energies

Christophe Bureau Delano P. Chong G. Lécayon J. Delhalle

Year: 1997 Journal: Journal of Electron Spectroscopy and Related Phenomena Vol: 83 (2-3)Pages: 227-234 Publisher: Elsevier BV

DOI: 10.1016/s0368-2048(96)03096-4

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Keywords:

Propionitrile Acrylonitrile Density functional theory Methacrylonitrile Chemistry Computational chemistry X-ray photoelectron spectroscopy Valence (chemistry) Binding energy Acetonitrile Atomic physics Physics Nuclear magnetic resonance Organic chemistry

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Advanced Chemical Physics Studies

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Photochemistry and Electron Transfer Studies

Physical Sciences → Chemistry → Physical and Theoretical Chemistry

Free Radicals and Antioxidants

Physical Sciences → Chemistry → Organic Chemistry

Accurate density functional calculation of core electron binding energies

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