Computer Simulation of Deuterium NMR Line Shapes
The results of a computer program written to study rotational dynamics by following the reorientation of a carbon-deuterium (C-D) bond vector in a deuteriated molecule are described. Three-dimensional plots are constructed to show how deuterium nuclear magnetic resonance splittings vary as a function of two rotational parameters. It is suggested that these diagrams provide insight into the rotational motions of the molecule. © 1987 American Chemical Society.
S. Jagannathan et al., "Computer Simulation of Deuterium NMR Line Shapes," Journal of Chemical Information and Computer Science, American Chemical Society (ACS), Jan 1987.
The definitive version is available at http://dx.doi.org/10.1021/ci00056a005
Article - Journal
© 1987 American Chemical Society (ACS), All rights reserved.