Journal of Physical Chemistry p. 3936 - 3941 (1986)
Update date:2022-08-11
Topics:
Bastard, J.
Bernassau, J. M.
Duc, Do Khac
Fetizon, M.
Lesueur, E.
A molecular dynamics study on some podocarpane derivatives is described.The 13C NMR relaxation times lead to the diffusion constants of various methyl groups in diaxial interaction.Molecular deformations are shown to be responsible for the rotational barrier values of these methyl groups calculated by the force field method (FFM).A correlation between the two methods is proposed.
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