Cyanogen azide: Ionisation potentials and ab initio SCF Mo calculation

Autor:	Peter Jansen, Børge Bak, Herbert Stafast
Rok vydání:	1975
Předmět:	chemistry.chemical_compound chemistry Cyanogen Computational chemistry Ionization Ab initio General Physics and Astronomy High resolution Physical chemistry Azide Physical and Theoretical Chemistry Spectral line
Zdroj:	Chemical Physics Letters. 35:247-250
ISSN:	0009-2614
Popis:	The Ne(I) and He(I) photoelectron(PE) spectra of cyanogen azide, NCN3, have been recorded at high resolution. Their interpretation is achieved by comparison with the PE spectrum of HN3 and an ab initio LCGO SCF MO calculation. Deviations from Koopmans' theorem of quite different magnitudes are found dependent on the type of ionisation process.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::356243511077d93fe62303adb85b1a8d https://doi.org/10.1016/0009-2614(75)85324-3 Zobrazit plný text záznamu