Theoretical study via DFT for prediction of 13C and 1H NMR data of two diterpenoids derived from the root of salvia grandifolia

Theoretical study via DFT for prediction of 13C and 1H NMR data of two diterpenoids derived from the root of salvia grandifolia

The DFT method has become a promising alternative in the support of traditional NMR experimental techniques, comparing experimental data with theoretical data, thereby achieving accurate and satisfactory results. In the present study, the experimental data of two diterpenes were compared to the theo...

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Bibliographic Details
Main Authors: da Costa Renato A., Silva Sebastião G., de O. Silva Silvana, Cruz Jorddy N., da Costa Wanessa A., dos Santos Brasil Luciane S.N., Silva Raí C., Santos Cleydson B.R., Alves Cláudio N., Barros Brasil Davi De S.
Format: Article
Language:English
Published: Serbian Chemical Society 2019-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
statistical analysis
B3LYP/cc-pVDZ
linear regression
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2019/0352-51391800081D.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/0352-5139/2019/0352-51391800081D.pdf

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