The energetlcs of proton transfer between the N and 0 atoms of (H$WOH& are calculated via ab mltlo molecular orbttal methods A smgle-well potentgal IS obtamed at the equhbnum mternrolecuiar separation ~nch.~s~on of electron corcehtxon via the POL CI techmque produces a Iess steep potent&. rc lucmg t
Proton transfers in hydrogen-bonded systems V. Analysis of electronic redistributions in (N2H7)+
✍ Scribed by Steve Scheiner
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 449 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0020-7608
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