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Anomalous H/D isotope effect in hydrogen bonded systems: H-bonded cyclic structures and transfers of protons

✍ Scribed by Y. Maréchal

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
518 KB
Volume
321
Category
Article
ISSN
0022-2860

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Proton transfers in hydrogen bonded syst
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✍ Steve Scheiner; Lawrence B. Harding 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 311 KB

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