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σ-Bond Stretching: A Static Approach for a Dynamic Process

✍ Scribed by David Scheschkewitz; Hideki Amii; Heinz Gornitzka; Wolfgang W. Schoeller; Didier Bourissou; Guy Bertrand

Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
137 KB
Volume
43
Category
Article
ISSN
0044-8249

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We report a critical assessment of the building blocks constituting a general protocol for the study of the structure, strength, and kinetics of hydrogen bridges in large biological systems. The potentialities of self-consistent hybrid approaches for computing reliable potential energy surfaces are