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Theoretical interpretation of 1s hole satellite peaks of formaldehyde

โœ Scribed by I.H. Hillier; J. Kendrick


Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
119 KB
Volume
6
Category
Article
ISSN
0368-2048

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๐Ÿ“œ SIMILAR VOLUMES


1s Hole satellite peaks in formaldehyde
โœ T.X. Carroll; T.D. Thomas ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 103 KB
Intense satellite peaks in the carbon 1s
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The C 1s PES of hloz(OzCH)~ and hfo2(02CCH3)4, reported here, show an mtense satelbte peak close to the mam C 1s bne II-us IS assigned, by means of ab mit~o calculations, to a bI (6) + bt (CZpn) transition of the core hole Ion The la& of an mtense satelhte III the 0 1s spectrum IS dncussed.

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PM3 molecular orbital calculations were carried out to estimate CH bond dissociation energies of 13 polycyclic aromatic hydrocarbon (PAH) molecular cations. The dissociation energy of a CH bond turned out to be almost independent of the size of the molecular cation and the environment in the cation.