Substituent Effects on Scalar 2J(19F,19F) and 3J(19F,19F) NMR Couplings: A Comparison of SOPPA and DFT Methods-Reference-Cited by-同舟云学术

Substituent Effects on Scalar 2J(19F,19F) and 3J(19F,19F) NMR Couplings: A Comparison of SOPPA and DFT Methods

Published:2003-05-17 Issue:23 Volume:107 Page:4748-4754
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Barone Verónica¹,Provasi Patricio F.¹,Peralta Juan E.¹,Snyder James P.¹,Sauer Stephan P. A.¹,Contreras Rubén H.¹

Affiliation:

1. Department of Physics and CONICET, University of Buenos Aires, FCEyN, Argentina, Department of Physics, North-Eastern University, FACENA, Argentina, Department of Chemistry, Rice University, Houston, Texas, 77005, Department of Chemistry, Emory University, Atlanta, Georgia 30322, and Department of Chemistry, University of Copenhagen, Copenhagen, Denmark

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0300851

Reference56 articles.

1. Direct Observation of Hydrogen Bonds in Nucleic Acid Base Pairs by Internucleotide 2JNN Couplings

2. Direct Observation of Hydrogen Bonds in Proteins by Interresidue 3hJNC‘ Scalar Couplings

3. Geometric Dependence of 3hJ(31P−15N) and 2hJ(31P−1H) Scalar Couplings in Protein−Nucleotide Complexes

4. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

5. Partially Bridge-Fluorinated Dimethyl Bicyclo[1.1.1]pentane-1,3-dicarboxylates: Preparation and NMR Spectra

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