Systematic ab Initio Study of 15N−15N and 15N−H Spin−Spin Coupling Constants Across N−H+−N Hydrogen Bonds: Predicting N−N and N−H Coupling Constants and Relating Them to Hydrogen Bond Type-Reference-Cited by-同舟云学术

Systematic ab Initio Study of 15N−15N and 15N−H Spin−Spin Coupling Constants Across N−H+−N Hydrogen Bonds: Predicting N−N and N−H Coupling Constants and Relating Them to Hydrogen Bond Type

Published:2006-05-20 Issue:23 Volume:110 Page:7496-7502
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Del Bene Janet E.¹,Elguero José¹

Affiliation:

1. Department of Chemistry, Youngstown State University, Youngstown, Ohio 44555, and Instituto de Química Médica, CSIC, Juan de la Cierva, 3, E−28006 Madrid, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0613642

Reference40 articles.

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

2. Advances in theoretical and physical aspects of spin-spin coupling constants

3. Review on DFT and ab initio Calculations of Scalar Coupling Constants

4. Hydrogen Bond Scalar Couplings — A New Tool In Biomolecular NMR

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