ELECTRONIC-STRUCTURE OF THE SULFUR NITRIDES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA

ELECTRONIC-STRUCTURE OF THE SULFUR NITRIDES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA

Ab initio molecular orbital calculations of better than double-ζ quality are reported for SN, S2N2,S4N4, and a number of open-shell cationic states; midbond functions (on all molecules) and polarization functions on S2N2 are included. The gas-phase UV-photoelectron spectra (PES) up to 25 eV have bee...

Полное описание

Библиографические подробности
Главные авторы:	Findlay, R, Palmer, M, Downs, A, Egdell, R, Evans, R
Формат:	Journal article
Опубликовано:	1980

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