Computational Study of the Electron Spectra of Acetamide and N-methylformamide

The molecular structures of the three conformers of acetamide are first studied by ab initio method of CCSD/cc-pVTZ. Using the optimized geometry of each species, we apply established and/or developing methods to compute several physical properties of acetamide and compare them with available experi...

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Veröffentlicht in:	Croatica Chemica Acta 2017-01, Vol.90 (1), p.99
1. Verfasser:	Chong, Delano P.
Format:	Artikel
Sprache:	eng
Schlagworte:	acetamide Amides Chemical properties electron spectra Electron spectroscopy Methods Molecular structure N-methylformamide Observations Spectra structure
Online-Zugang:	Volltext
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