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...
| Huvudupphovsmän: | , , , , |
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| Materialtyp: | Journal article |
| Publicerad: |
1980
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