Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights-Reference-Cited by-同舟云学术

Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights

Published:2021 Issue:9 Volume:8 Page:2019-2058
ISSN:2052-4129
Container-title:Organic Chemistry Frontiers
language:en
Short-container-title:Org. Chem. Front.

Author:

Costa Fabio L. P.¹²³⁴,de Albuquerque Ana C. F.⁵¹⁶⁷⁴^ORCID,Fiorot Rodolfo G.⁵¹⁶⁷⁴^ORCID,Lião Luciano M.¹⁸⁹⁴^ORCID,Martorano Lucas H.⁵¹⁶⁷⁴,Mota Gunar V. S.¹⁰¹¹¹²⁴,Valverde Alessandra L.⁵¹⁶⁷⁴^ORCID,Carneiro José W. M.¹³¹⁶⁷⁴^ORCID,dos Santos Junior Fernando M.⁵¹⁶⁷⁴^ORCID

Affiliation:

1. Instituto de Química

2. Universidade Federal de Jataí

3. Jataí-GO

4. Brazil

5. Departamento de Química Orgânica

6. Universidade Federal Fluminense

7. Niterói-RJ

8. Universidade Federal de Goiás

9. 74690-900 Goiânia-GO

10. Faculdade de Ciências Naturais/Instituto de Ciências Exatas e Naturais

11. Universidade Federal do Pará

12. Belém-PA

13. Departamento de Química Inorgânica

Abstract

In this review, we focus in all aspects of NMR simulation of natural products, from the fundamentals to the new computational toolboxes available, combining advanced quantum chemical calculations with upstream data processing and machine learning.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/QO/D1QO00034A

Reference214 articles.

1. Retrospective analysis of natural products provides insights for future discovery trends