A CNDC calculation is performed on formaldehyde and formaldehyde-water in the ground state and in the lowest excited state. The Ii bonds in the ground state and in the excited state are very similar although the latter is a little weaker. This difference corresponds to the blue shift th the n -7;-
✦ LIBER ✦
Calculation of the hydrogen-bond NMR shift in the water dimer
✍ Scribed by M. Jaszuński; A.J. Sadlej
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 300 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0009-2614
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