Neural Network Prediction of 13C NMR Chemical Shifts of Substituted Benzenes

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/pl00010287 ◽

1999 ◽

Vol 130 (9) ◽

pp. 1089-1095

Author(s):

Jens Meiler ◽

Reinhard Meusinger ◽

Martin Will

Keyword(s):

Neural Network ◽

13C Nmr ◽

Chemical Shifts ◽

Substituted Benzenes ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Neural Network Prediction ◽

Network Prediction

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ChemInform Abstract: Neural Network Prediction of 13C NMR Chemical Shifts of Alkanes.

10.1002/chin.199604287 ◽

2010 ◽

Vol 27 (4) ◽

pp. no-no

Author(s):

D. SVOZIL ◽

J. POSPICHAL ◽

V. KVASNICKA

Keyword(s):

Neural Network ◽

13C Nmr ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Neural Network Prediction ◽

Network Prediction

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Prediction of 13C NMR chemical shifts by artificial neural network. I. Partial charge model as atomic descriptor

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/j.chemolab.2016.01.010 ◽

2016 ◽

Vol 152 ◽

pp. 62-68 ◽

Author(s):

Ilya I. Kiryanov ◽

Farit H. Mukminov ◽

Arthur R. Tulyabaev ◽

Leonard M. Khalilov

Keyword(s):

Neural Network ◽

Artificial Neural Network ◽

13C Nmr ◽

Chemical Shifts ◽

Partial Charge ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Charge Model ◽

Partial Charge Model ◽

Artificial Neural

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An approach to predict the 13C NMR chemical shifts of acrylonitrile copolymers using artificial neural network

European Polymer Journal ◽

10.1016/j.eurpolymj.2006.09.014 ◽

2007 ◽

Vol 43 (1) ◽

pp. 156-163 ◽

Author(s):

Jaspreet Kaur ◽

Ajaib S. Brar

Keyword(s):

Neural Network ◽

Artificial Neural Network ◽

13C Nmr ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Artificial Neural ◽

Acrylonitrile Copolymers

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Correlation between deuterium isotope effects and 13C-NMR chemical shifts in substituted benzenes

Tetrahedron Letters ◽

10.1016/s0040-4039(00)95336-x ◽

1987 ◽

Vol 28 (12) ◽

pp. 1243-1246 ◽

Author(s):

Stefan Berger ◽

Bernd W.K. Diehl

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Isotope Effects ◽

Substituted Benzenes ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Deuterium Isotope Effects

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Neural Network Prediction of Carbon-13 NMR Chemical Shifts of Alkanes

Journal of Chemical Information and Modeling ◽

10.1021/ci00027a021 ◽

1995 ◽

Vol 35 (5) ◽

pp. 924-928 ◽

Author(s):

Daniel Svozil ◽

Jiri Pospichal ◽

Vladimir Kvasnicka

Keyword(s):

Neural Network ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

Neural Network Prediction ◽

Network Prediction

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13C NMR chemical shifts in substituted benzenes: analysis using natural perturbation orbitals and substitution effects

Molecular Physics ◽

10.1080/00268976.2020.1843722 ◽

2021 ◽

pp. e1843722

Author(s):

Masaya Miyamoto ◽

Masahiko Hada

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Substitution Effects ◽

Substituted Benzenes ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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Theoretical evidence for the major isomers of fullerene C84 based on 13C NMR chemical shifts

New Journal of Chemistry ◽

10.1039/b004944l ◽

2000 ◽

Vol 24 (10) ◽

pp. 741-743 ◽

Author(s):

Guangyu Sun ◽

Miklos Kertesz

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Theoretical Evidence

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Interpretation of 13C NMR chemical shifts in halomethyl cations. On the importance of spin-orbit coupling and electron correlation

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01425-x ◽

1997 ◽

Vol 265 (1-2) ◽

pp. 55-59 ◽

Author(s):

Martin Kaupp ◽

Olga L. Malkin ◽

Vladimir G. Malkin

Keyword(s):

13C Nmr ◽

Electron Correlation ◽

Chemical Shifts ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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ChemInform Abstract: Comparative Study of 13C NMR Chemical Shifts of Anisoles and Thioanisoles.

10.1002/chin.199323040 ◽

2010 ◽

Vol 24 (23) ◽

pp. no-no

Author(s):

V. BALIAH ◽

V. PREMASAGAR ◽

M. UMA ◽

A. MANGALAMUDAIYAR

Keyword(s):

Comparative Study ◽

13C Nmr ◽

Chemical Shifts ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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ChemInform Abstract: Substituent Influences on the Stability of the Ring and Chain Tautomers in 1,3-O,N-Heterocyclic Systems: Characterization by 13C NMR Chemical Shifts, PM3 Charge Densities, and Isodesmic Reactions

10.1002/chin.200139024 ◽

2010 ◽

Vol 32 (39) ◽

pp. no-no

Author(s):

Kari Neuvonen ◽

Ferenc Fueloep ◽

Helmi Neuvonen ◽

Andreas Koch ◽

Erich Kleinpeter ◽

...

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Isodesmic Reactions ◽

Nmr Chemical Shifts ◽

Charge Densities ◽

13C Nmr Chemical Shifts ◽

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