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Thermodynamics of the Photoenzymic Repair Mechanism Studied by Density Functional Theory

โœ Scribed by Durbeej, Bo; Eriksson, Leif A.


Book ID
121801164
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
103 KB
Volume
122
Category
Article
ISSN
0002-7863

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## Abstract The thermodynamic properties of 76 polychlorinated dihydrophezines (PCDPs) in the gaseous state at 298.15โ€‰K and 101.325โ€‰kPa, have been calculated using the density functional theory (the BHANDHLYP/6โ€31G\*) with Gaussian 03 program. Based on these data, the isodesmic reactions were desig