Prediction of the photoelectron spectrum for XPY2 (X = H, F, Cl; Y = O, S) type of molecules by ab initio and DFT methods

Author: Bégué Didier   Sotiropoulos Jean-marc   Pouchan Claude   Zhang Daisy Y  

Publisher: NRC Research Press

ISSN: 1480-3291

Source: Canadian Journal of Chemistry, Vol.84, Iss.1, 2006-01, pp. : 5-9

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Abstract