13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks-Reference-Cited by-同舟云学术

13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks

Published:1996-01-01 Issue:4 Volume:36 Page:644-653
ISSN:0095-2338
Container-title:Journal of Chemical Information and Computer Sciences
language:en
Short-container-title:J. Chem. Inf. Comput. Sci.

Author:

Ivanciuc O.¹,Rabine J.-P.¹,Cabrol-Bass D.¹,Panaye A.¹,Doucet J. P.¹

Affiliation:

1. Department of Organic Chemistry, Faculty of Chemical Technology, University “Politehnica” of Bucharest, Splaiul Independentei 313, 77206 Bucharest, Romania, LARTIC University of Nice-Sophia Antipolis, Parc Valrose 06108 Nice Cedex, France, and ITODYS, University of Paris 7 - Denis Diderot, 1 Rue Guy de la Brosse, 75005 Paris, France

Publisher

American Chemical Society (ACS)

Subject

Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci950131x

Reference34 articles.

1. CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectra

2. The CSEARCH-NMR data base approach to solve frequent questions concerning substituent effects on 13C NMR chemical shifts

3. Nuclear Magnetic Resonance Studies of Hydrogen Bonding. II. Calculation of the Shift upon Complex Formation

4. A computer program for the prediction of 13-C-NMR chemical shifts of organic compounds

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