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LCAO Self-Consistent Field Calculation of the π-Electron Energy Levels of cis- and trans−1,3-Butadiene

✍ Scribed by Parr, Robert G.; Mulliken, Robert S.


Book ID
118742426
Publisher
American Institute of Physics
Year
1950
Tongue
English
Weight
933 KB
Volume
18
Category
Article
ISSN
0021-9606

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✍ Edilson Clemete Da Silva; Marco Antonio-Chaer Nascimento 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 266 KB

Some o +x\* supcrexcited states of the trans-l,3-butadiene molcule have been calculated in order to establish them as possible candidates for the 9.52 eV and 11.04 eV transitions observed in the electron impact spectra of this molecule. Four states have been solved self-consistently (7a, -r2a,, 2b,