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Cooperativity and Proton Transfer in Hydrogen-Bonded Triads

✍ Scribed by Otilia Mó; Manuel Yáñez; Janet E. Del Bene; Ibon Alkorta; José Elguero

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
304 KB
Volume
6
Category
Article
ISSN
1439-4235

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Absolute Rate Calculations: Atom and Pro
Absolute Rate Calculations: Atom and Proton Transfers in Hydrogen-Bonded Systems
✍ Mónica Barroso; Luis G. Arnaut; Sebastião J. Formosinho 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 159 KB 👁 2 views

## Abstract __We calculate energy barriers of atom‐ and proton‐transfer reactions in hydrogen‐bonded complexes in the gas phase. Our calculations do not involve adjustable parameters and are based on bond‐dissociation energies, ionization potentials, electron affinities, bond lengths, and vibration