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|Type:||Artigo de periódico|
|Title:||EXCITED-STATES OF URACIL AND RELATED MOLECULES STUDIED WITH HAM/3|
|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.|
|Editor:||Elsevier Science Bv|
|Citation:||Journal Of Molecular Structure-theochem. Elsevier Science Bv, v. 102, n. 289, n. 303, 1993.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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