Toward the comprehensive calculations on the relationship between 1 H, 13 C, 31 P chemical shifts, 2 J PH , and the bonding structure of different phosphoryl benzamides
Author:
Affiliation:
1. Department of Chemistry, Faculty of Science; Tarbiat Modares University; Tehran Iran
Funder
Tarbiat Modares University
Publisher
Wiley
Subject
General Materials Science,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.4820/fullpdf
Reference86 articles.
1. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
2. Spin–spin coupling tensors as determined by experiment and computational chemistry
3. Complete Prediction of the1H NMR Spectrum of Organic Molecules by DFT Calculations of Chemical Shifts and Spin-Spin Coupling Constants
Cited by 2 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. Recent advances in computational 31 P NMR: Part 2. Spin-spin coupling constants;Magnetic Resonance in Chemistry;2019-12-06
2. A theoretical study on 1H/13C/31P NMR chemical shifts, and the correlation between 2JP–H and the electronic structure of different phosphoryl benzamide derivatives;Journal of Molecular Structure;2019-05
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