Ab initio calculations for the interacting system of lower excited states of planar and bent HzCO with B?O have been carried out with a minimum basis set, using the recently proposed electron-hole potential method The blue shifts of the n-z\* transition are evaiuated as I100 and 142Q cm-\* ' .or th
Molecular orbital theory of the hydrogen bond. VIII. Hydrogen bonding in H2OH2CO in relaxed singlet and triplet n → π* states
✍ Scribed by Janet E. Del Bene
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 436 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0009-2614
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