Effective consideration of ring structures in CAST/CNMR for highly accurate 13C NMR chemical shift prediction

Tetrahedron

Volumn 61, Issue 31, 2005, Pages 7431-7437

  Satoh, Hiroko ^a   Koshino, Hiroyuki ^b   Uno, Takeaki ^a   Koichi, Shungo ^c   Iwata, Satoru ^c   Nakata, Tadashi ^d  

^a NATIONAL INSTITUTE OF INFORMATICS   (Japan)

^b INST OF PHYS AND CHEMICAL RESEARCH   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

^d TOKYO UNIVERSITY OF SCIENCE   (Japan)

Author keywords

13C NMR chemical shift prediction; A ring structure effect; Database; Natural products

Indexed keywords

ORGANIC COMPOUND;

ACCURACY; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; ELECTROCHEMISTRY; PREDICTION; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; SYNTHESIS;

EID: 21744449001     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2005.05.074     Document Type: Article

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33. The development of a GUI and the improvement of some algorithms for faster calculations are now in progress. If you are interested in the use of the current version for your academic research purposes, please contact the corresponding authors.