A computer program for the automatic estimation of 1H NMR chemical shifts
- 1 May 1994
- journal article
- Published by Elsevier in Analytica Chimica Acta
- Vol. 290 (3) , 295-302
- https://doi.org/10.1016/0003-2670(94)80116-9
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Proton and carbon-13 NMR spectra simulationJournal of Chemical Information and Computer Sciences, 1992
- Carbon-13 nuclear magnetic resonance spectrum simulationJournal of Chemical Information and Computer Sciences, 1992
- Trends in shift rules in carbon-13 nuclear magnetic resonance spectroscopy and computer-aided shift predictionAnalytica Chimica Acta, 1991
- Comprehensive parameter set for the prediction of the 13C-NMR chemical shifts of sp3-hybridized carbon atoms in organic compoundsAnalytica Chimica Acta, 1990
- A computer program for the prediction of 13-C-NMR chemical shifts of organic compoundsAnalytica Chimica Acta, 1990
- Computer predictions of 13C spectra. II—Alcohols and ketonesMagnetic Resonance in Chemistry, 1988
- 13C NMR data bank techniques as analytical toolsMagnetic Resonance in Chemistry, 1985
- CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectraJournal of Chemical Information and Computer Sciences, 1985
- Hose — a novel substructure codeAnalytica Chimica Acta, 1978
- A minicomputer program based on additivity rules for the estimation of 13c-nmr chemical shiftsAnalytica Chimica Acta, 1977