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11 Those geometries within 10 kcal/mol of the most stable one were optimized by MNDO. Torsional angle ω is a weighed average of those of the stable conformers within the energy window of 3 kcal/mol at -20 °C assuming their Boltzman distribution
-
11 Those geometries within 10 kcal/mol of the most stable one were optimized by MNDO. Torsional angle ω is a weighed average of those of the stable conformers within the energy window of 3 kcal/mol at -20 °C assuming their Boltzman distribution.
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