Experimental and Theoretical Study of Hyperconjugative Interaction Effects on NMR 1JCH Scalar Couplings

Author:

Contreras Rubén H.1,Esteban Ángel L.1,Díez Ernesto1,Della Ernest W.1,Lochert Ian J.1,dos Santos Francisco P.1,Tormena Cláudio F.1

Affiliation:

1. Departamento de Física, FCEyN, Universidad de Buenos Aires, Ciudad Universitaria, P. 1 and CONICET (C1428EHA) Buenos Aires, Argentina, Departamento de Química Física, Universidad de Alicante, Apartado 99, E-03080 Alicante, Spain, Departamento de Química Física Aplicada, Facultad de Ciencias, C2, Universidad Autónoma de Madrid, E-28049 Madrid, Spain, Department of Chemistry, Flinders University, Bedford Park, South Australia 5108, Australia, and Departamento de Química, Faculdade de Filosofia Ciências e...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Reference57 articles.

1. (b) Weinhold F. InEncyclopedia of Computational Chemistry; Schleyer, P. v. R., Ed.; Wiley:  New York, 1998; Vol. 3, p 1792.

2. Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data

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