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Quantum effects in ab-initio calculations of rate constants for chemical reactions occuring in the condensed phase

✍ Scribed by Jeremy Schofield

Book ID
105885758
Publisher
Springer
Year
2005
Tongue
English
Weight
220 KB
Volume
116
Category
Article
ISSN
1432-2234

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A number of important reactions involved in the formation and metabolism of N-nitrosamines have been studied using a modified reaction field method which treats the solute quantum mechanically and the solvent as a polarized dielectric.