Electronic structure of dicarbonyls. Glyoxal excited states
نویسندگان
چکیده
منابع مشابه
Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra.
Excited-state geometries and electronic spectra of butadiene, acrolein, and glyoxal have been investigated by the symmetry adapted cluster configuration interaction (SAC-CI) method in their s-trans conformation. Valence and Rydberg states below the ionization threshold have been precisely calculated with sufficiently flexible basis sets. Vertical and adiabatic excitation energies were well repr...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 1976
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja00418a014