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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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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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