Proton transfer potentials in hydrogen-bonded systems: (H5O2)+
β Scribed by Steve Scheiner
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 363 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0020-7608
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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
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