The experimentally observed photoelectron spectrum of C36H74 is compared with theoretical calculations based on crystal orbital theory at various ievels of approximation. The methods considered are EHT, CNDO, INDO, MIND0 and ab initio procedures. The results from the MIND0 calcuialion appear to give
Comparison of the relative intensities of penning electron spectrum and photoelectron spectrum. Unsaturaated hydrocarbons
β Scribed by Toshiaki Munakata; Kozo Kuchitsu; Yoshiya Harada
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 403 KB
- Volume
- 64
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Department of semi%% Fam@ of Science, i%e L'nil ersiw of ~0k.t O. ~unkp-h, TO&-O 113. &pan and Yoshiya IiARADA Department o,FChemist?y, College of General Education. The L'nil ersie of Tok_vo, Komuba, ~fegrrr0-x-r. Tokyo 153. Japarz
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A recenrwork on the comparison between ESCA and band structure mlculations on polyethylene is discussed. In a recent paper [ 11, the experimentally observed photoelectron spectrum ofC36H74 [2] is compared with theoretical calculations based on crystal orbital theory at various levels of approximati
## Abstract The relative intensities of bands in a polarized Raman Lattice spectrum of __p__βchloroaniline are interpreted in terms of the oriented gas model. Among different reasons for deviations from this model the vibronic intensity enhancement of __B__~1g~ and __B__~3g~ lattice bands has been