Calculated coupling constants 1 J(X-Y) and 1 K(X-Y), and fundamental relationships among the reduced coupling constants for molecules Hm X-YHn , with X, Y ═ 1 H, 7 Li, 9 Be, 11 B, 13 C, 15 N, 17 O, 19 F, 31 P, 33 S, and 35 Cl-Reference-Cited by-同舟云学术

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Calculated coupling constants 1 J(X-Y) and 1 K(X-Y), and fundamental relationships among the reduced coupling constants for molecules Hm X-YHn , with X, Y ═ 1 H, 7 Li, 9 Be, 11 B, 13 C, 15 N, 17 O, 19 F, 31 P, 33 S, and 35 Cl

Published:2020-04-07 Issue:8 Volume:58 Page:727-732
ISSN:0749-1581
Container-title:Magnetic Resonance in Chemistry
language:en
Short-container-title:Magn Reson Chem

Author:

Elguero José¹^ORCID,Alkorta Ibon¹^ORCID,Del Bene Janet E.²^ORCID

Affiliation:

1. Instituto de Química Médica (CSIC); Madrid Spain

2. Department of Chemistry; Youngstown State University; Youngstown Ohio USA

Funder

Comunidad de Madrid

Ministerio de Ciencia, Innovación y Universidades

Publisher

Wiley

Subject

General Materials Science,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.5026/fullpdf

Reference81 articles.

1. Elucidation of the Electronic Structure of Molecules with the Help of NMR Spin−Spin Coupling Constants: The FH Molecule

2. Modern quantum chemical methods for calculating spin–spin coupling constants: theoretical basis and structural applications in chemistry

3. The Basis Set Convergence of Spin−Spin Coupling Constants Calculated by Density Functional Methods

4. Calculation and analysis of NMR spin–spin coupling constants

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