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• W2014161092 abstract "The molecular spectra of formamide (HCONH2) are interpreted by the use of the new semiempirical method HAM/3. Very good agreement with experiments can be obtained for the calculation of all valence ionization energies as well as for the (negative) electron affinity. In addition, the calculated excitation energies allow an unambiguous interpretation of the UV spectrum, for which previously different ordering of the triplet 3ππ* and 3nπ* transitions have been suggested." @default.
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• W2014161092 date "1978-12-01" @default.
• W2014161092 modified "2023-10-03" @default.
• W2014161092 title "Interpretation of electron spectra. III. Spectra of formamide, studied with<scp>HAM</scp>/3" @default.
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• W2014161092 doi "https://doi.org/10.1002/qua.560140605" @default.
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