Ab Initio EOM-CCSD Investigation of One-Bond C−C, N−C, and N−N Spin−Spin Coupling Constants in Fluoroazines
Author:
Affiliation:
1. Department of Chemistry, Youngstown State University, Youngstown, Ohio 44555 USA 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/jp100649k
Reference36 articles.
1. Probing 1J(C−F) and nJ(F−F) Spin−Spin Coupling Constants for Fluoroazines: An Ab Initio Theoretical Investigation
2. Natural abundance carbon-13-carbon-13 coupling observed via double-quantum coherence
3. One-Bond 13C-13C Spin-Spin Coupling Constants
4. Doubling the sensitivity of natural abundance13C-13C INADEQUATE with off-resonance compensation
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