Variation of One-bond X−Y Coupling Constants 1J(X−Y) and the Components of 1J(X−Y) with Rotation about the X−Y Bond for Molecules HmX−YHn, with X, Y = 15N, 17O, 31P, 33S: The Importance of Nonbonding Pairs of Electrons
Author:
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/jp067580s
Reference31 articles.
1. Advances in Theoretical and Physical Aspects of Spin–Spin Coupling Constants
2. Karplus-Type Equations for 1J(X−Y) in Molecules HmX−YHn: (X, Y = N, O, P, S)
3. Approximate fourth-order perturbation theory of the electron correlation energy
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