Although rate constant and free energy of activation data obtained ... vide quite accurate rate data. ..... proaches, based on CAChe molecular modelin...
VII. The Energy Difference between the Rotational Isomers of Some Halogen Substituted Ethanes. F. E. Malherbe, and H. J. Bernstein. J. Am. Chem. Soc. , 1952 ...
It has been found that both attractive and repulsive interactions are diminished near the barrier top but the attraction attenuates to a higher degree than the ...
the range 3-23 GHz using a Fourier transform microwave spectrometer working ... spectrum yielded rotational constants, centrifugal distortion constants, and a ...
spectrum yielded rotational constants, centrifugal distortion constants, and a barrier for the internal rotation with high accuracy. For the 54Fe-isotopomer, ...
Energy Barriers to Internal Rotation: Hyperconjugation and Electrostatic Description ..... negative Ven energy is lower by 207.4 kcal/mol at the barrier.
Sep 16, 2003 - Overall molecular shape is determined by forces that hinder internal rotations around the single bonds. As the rotation is not free, the potential ...
Energy Barriers to Internal Rotation: Hyperconjugation and Electrostatic Description ..... negative Ven energy is lower by 207.4 kcal/mol at the barrier.
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rotation, in kilocalories per mole, of 18.2(0.1), 17.8(0.1), 17.2(0.1), and 18.0(0.1), respectively. ... 298 value, 16.0(0.1) kcal mol-1, and they correlate well with.
