Automated selection of models for the simulation of carbon-13 nuclear magnetic resonance spectra
作者： Gary W. Small , Terry R. Stouch , Peter C. Jurs
DOI: 10.1021/AC00277A012
关键词:
摘要: Description d'une procedure sur ordinateur pour la determination automatisee de convenance d'un modele donne une simulation donnee. Test des steroides, composes cyclaniques, alcanes lineaires et ramifies
acs.org 
sci-hub.se 参考文章(18)
David H. Wertz, Norman L. Allinger, Conformational analysis—CI Tetrahedron. ,vol. 30, pp. 1579- 1586 ,(1974) , 10.1016/S0040-4020(01)90680-5
Gary W. Small, Peter C. Jurs, Simulation of carbon-13 nuclear magnetic resonance spectra of cycloalkanols with computer-based structural descriptors Analytical Chemistry. ,vol. 55, pp. 1128- 1134 ,(1983) , 10.1021/AC00258A034
Gary W. Small, Peter C. Jurs, Interactive computer system for the simulation of carbon-13 nuclear magnetic resonance spectra Analytical Chemistry. ,vol. 55, pp. 1121- 1127 ,(1983) , 10.1021/AC00258A033
Richard M. Schwarz, Norman Rabjohn, 13C NMR chemical shifts of some highly-branched acyclic compounds Organic Magnetic Resonance. ,vol. 13, pp. 9- 13 ,(1980) , 10.1002/MRC.1270130103
Gary W. Small, Peter S. Jurs, Data reduction in the simulation of carbon-13 nuclear magnetic resonance spectra of steroids Analytical Chemistry. ,vol. 56, pp. 2307- 2314 ,(1984) , 10.1021/AC00277A011
C. Konno, H. Hikino, 13C nuclear magnetic resonance spectra of ethers and glycols Tetrahedron. ,vol. 32, pp. 325- 331 ,(1976) , 10.1016/0040-4020(76)80044-0
Don K. Dalling, David M. Grant, Edward G. Paul, Carbon-13 magnetic resonance. XXIII. Methyldecalins Journal of the American Chemical Society. ,vol. 95, pp. 3718- 3724 ,(1973) , 10.1021/JA00792A041
A. J. Stuper, P. C. Jurs, ADAPT: A Computer System for Automated Data Analysis Using Pattern Recognition Techniques Journal of Chemical Information and Computer Sciences. ,vol. 16, pp. 99- 105 ,(1976) , 10.1021/CI60006A014
Norman L. Allinger, M. Thomas Tribble, Mary Ann Miller, David H. Wertz, Conformational analysis. LXIX. Improved force field for the calculation of the structures and energies of hydrocarbons Journal of the American Chemical Society. ,vol. 93, pp. 1637- 1648 ,(1971) , 10.1021/JA00736A012
Gary W. Small, Peter C. Jurs, Determination of topological similarity of carbon atoms in the simulation of carbon-13 nuclear magnetic resonance spectra Analytical Chemistry. ,vol. 56, pp. 1314- 1323 ,(1984) , 10.1021/AC00272A027