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Combined Quantum Mechanical and Molecular Mechanics Studies of the Electron-Transfer Reactions Involving Carbon Tetrachloride in Solution

✍ Scribed by Valiev, Marat; Bylaska, Eric J.; Dupuis, Michel; Tratnyek, Paul G.

Book ID
127194852
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
360 KB
Volume
112
Category
Article
ISSN
1089-5639

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## Abstract The rate constant for the bimolecular combination of trichloromethyl radicals in methanol is determined as a function of temperature by steady‐state kinetics and electron‐spin resonance with modulated radical initiation. The rate constant is in accord with the Smoluchowski equation and