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Simultaneous true, gated, and coupled electron-transfer reactions and energetics of protein rearrangement

✍ Scribed by Tijana Ž. Grove; G. Matthias Ullmann; Nenad M. Kostić


Book ID
113718553
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
635 KB
Volume
106
Category
Article
ISSN
0162-0134

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📜 SIMILAR VOLUMES


Energetics and electronic rearrangements
✍ Steve Scheiner 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 597 KB

## Abstract Proton transfer between N and O in the hydrogen‐bonded system (H~3~NHOH~2~)^+^ is studied by __ab initio__ molecular orbital methods. Potential energy curves are calculated at the hartree–Fock level using the 4–31__G__ basis set for hydrogen bond lengths __R__(NO) varying from the equil