When not to rely on Boltzmann populations. Automated CASE-3D structure elucidation of hyacinthacines through chemical shift differences-Reference-Cited by-同舟云学术

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When not to rely on Boltzmann populations. Automated CASE-3D structure elucidation of hyacinthacines through chemical shift differences

Published:2019-11-10 Issue:2 Volume:58 Page:139-144
ISSN:0749-1581
Container-title:Magnetic Resonance in Chemistry
language:en
Short-container-title:Magn Reson Chem

Author:

Navarro-Vázquez Armando¹^ORCID

Affiliation:

1. Universidade Federal de Pernambuco, Departamento de Química Fundamental, CCEN; Recife Pernambuco Brazil 50670-90.1

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco

Publisher

Wiley

Subject

General Materials Science,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.4951/fullpdf

Reference41 articles.

1. Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods

2. Computational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry

3. Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations

4. State of the art and perspectives in the application of quantum chemical prediction of 1 H and 13 C chemical shifts and scalar couplings for structural elucidation of organic compounds

5. Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability

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1. NMR Prediction with Computational Chemistry;Enabling Tools and Techniques for Organic Synthesis;2023-08-31

2. Anisotropic NMR data acquisition with a prototype 400 MHz cryogen‐free NMR spectrometer;Magnetic Resonance in Chemistry;2023-08-02

3. Phomactinine, the First Nitrogen-Bearing Phomactin, Produced by Biatriospora sp. CBMAI 1333;Journal of Natural Products;2023-07-25

4. Breaking the DFT Energy Bias Caused by Intramolecular Hydrogen‐Bonding Interactions with MESSI, A Structural Elucidation Method Inspired by Wisdom of Crowd Theory**;Chemistry – A European Journal;2023-05-03

5. (-)-Amarbellisine is none other than (-)-montanine: A CASE-3D and dereplication NMR study;Phytochemistry Letters;2023-04

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