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 studies of hydrogen bonds
β Scribed by Suehiro Iwata; Keiji Morokuma
- Publisher
- Springer
- Year
- 1977
- Tongue
- English
- Weight
- 869 KB
- Volume
- 44
- Category
- Article
- ISSN
- 1432-2234
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