Conformational analysis from statistical treatment of 13C NMR chemical shifts-Reference-Cited by-同舟云学术

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Conformational analysis from statistical treatment of 13C NMR chemical shifts

Published:2015-12 Issue: Volume:149 Page:132-139
ISSN:0169-7439
Container-title:Chemometrics and Intelligent Laboratory Systems
language:en
Short-container-title:Chemometrics and Intelligent Laboratory Systems

Author:

Cotos-Yáñez Tomás R.,García-Domínguez Patricia,Iglesias Beatriz,Muñoz Luis

Funder

Spanish Ministry of Science and Innovation

Publisher

Elsevier BV

Subject

Spectroscopy,Process Chemistry and Technology,Computer Science Applications,Software,Analytical Chemistry

Reference52 articles.

1. Theory and computation of nuclear magnetic resonance parameters;Vaara;Phys. Chem. Chem. Phys.,2007

2. Computational prediction of 1H and 13C chemical shifts: a useful tool for natural product, mechanistic, and synthetic organic chemistry;Lodewyk;Chem. Rev.,2012

3. The quantum-chemical calculation of NMR indirect spin-spin coupling constants;Helgaker;Prog. Nucl. Magn. Reson. Spectrosc.,2008

4. Successful combination of computationally inexpensive GIAO C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments;Sarotti;Org. Biomol. Chem.,2013

5. DFT/NMR integrated approach: a valid support to the total synthesis of chiral molecules;Chini;Magn. Reson. Chem.,2008

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. An improved statistical approach for conformational analysis from 13C NMR chemical shifts;Chemometrics and Intelligent Laboratory Systems;2021-10

2. The dynamic properties of angiotensin II type 1 receptor inverse agonists in solution and in the receptor site;Arabian Journal of Chemistry;2019-12

3. 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;Magnetic Resonance in Chemistry;2016-09-09

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