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|Type:||Artigo de periódico|
|Title:||A Ham/3 Study Of Photoelectron Spectra Of Benzoic Acid And Its Derivatives|
|Abstract:||The ultraviolet photoelectron spectra of benzoic acid and its derivatives in the literature are analysed by the semiempirical HAM/3 method. Agreement between theory and experiment in the low-energy regions of these spectra is satisfactory. HAM/3 assignment is proposed for the high-energy regions of the spectra where no experimental information is available. HAM/3 reproduced very well chemical substitution effects that were observed experimentally. © 1984.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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