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Type: Artigo de periódico
Title: Excited States Of Uracil And Related Molecules Studied With Ham/3
Author: Takahata Y.
Abstract: The semiempirical HAM/3 method was used to determine the excitation energies of uracil and related molecules. The excitation energies, calculated as the difference between two orbital energies, were compared with those calculated using the configuration interaction (CI) method. The two methods provided similar results, with a few exceptions. Observed UV spectra of the molecules can be assigned fairly satisfactorily using the HAM/3 results. © 1993.
Rights: fechado
Identifier DOI: 10.1016/0166-1280(93)87140-9
Date Issue: 1993
Appears in Collections:Unicamp - Artigos e Outros Documentos

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