Ion [C5H5O]+ formation in the electron-impact mass spectra of 4-substituted N-(2-furylmethyl)anilines. Relative abundance prediction ability of the DFT calculations

Journal of Molecular Structure: THEOCHEM

Volumn 769, Issue 1-3, 2006, Pages 83-85

  Solano, Eduardo ^a   Stashenko, Elena ^a   Martínez, Jairo ^a   Mora, Uriel ^a   Kouznetsov, Vladimir ^a  

^a UNIVERSIDAD INDUSTRIAL DE SANTANDER   (Colombia)

Author keywords

4 Substituted N (2 furylmethyl)anilines; and UHF 6 31G(d,p); critical energies; Ion C5H5O +; Mass spectrometry; UB3LYP 6 31G(d,p)

Indexed keywords

EID: 33748454828     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.04.034     Document Type: Article

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