Computer Simulation of Deuterium NMR Line Shapes
Abstract
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.
Recommended Citation
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 https://doi.org/10.1021/ci00056a005
Department(s)
Chemistry
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 1987 American Chemical Society (ACS), All rights reserved.
Publication Date
01 Jan 1987
