Published January 1977
| public
Journal Article
Computer-Assisted Molecular Structure Construction for coal-derived compounds
Chicago
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Abstract
A new technique, Computer-Assisted Molecular Structure Construction (CAMSC), has been developed for the structural elucidation of coal-derived compounds. It utilizes elemental analysis, n.m.r. spectra and molecular weight data to determine the allowable combinations of functional groups constituting the structure. CAMSC is applied to four cases of experimental data from the literature. The results compare well with those obtained by other methods and in some cases provide additional information.
Additional Information
© 1977 Published by Elsevier Ltd. Received 20 July 1976. This research was supported by the National Science Foundation under Grant No. AER 74-12161.Additional details
- Eprint ID
- 61877
- DOI
- 10.1016/0016-2361(77)90033-3
- Resolver ID
- CaltechAUTHORS:20151105-083250247
- NSF
- AER 74-12161
- Created
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2015-11-06Created from EPrint's datestamp field
- Updated
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2021-11-10Created from EPrint's last_modified field