Accurate density functional calculation of core electron binding energies: Part V: Application to nitriles. Model molecules for polyacrylonitrile revisited

Journal of Electron Spectroscopy and Related Phenomena

Volumn 83, Issue 2-3, 1997, Pages 227-234

  Bureau, C ^a   Chong, D P ^b   Lecayon G ^a   Delhalle, J ^c  

^a CEA SACLAY   (France)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^c UNIVERSITY OF NAMUR   (Belgium)

Author keywords

Computation; Core levels; Density functional theory; Nitriles; Polyacrylonitrile; X ray photoelectron spectroscopy

Indexed keywords

EID: 0000667585     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0368-2048(96)03096-4     Document Type: Article

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