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Pagola GI, Larsen MAB, Ferraro M, et al. The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H. J Comput Chem. 2018;39(31):2589-2600doi: 10.1002/jcc.25648.
Pagola, G. I., Larsen, M. A. B., Ferraro, M., & Sauer, S. P. A. (2018). The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H. Journal of computational chemistry, 39(31), 2589-2600. https://doi.org/10.1002/jcc.25648
Pagola, Gabriel I, et al. "The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H." Journal of computational chemistry vol. 39,31 (2018): 2589-2600. doi: https://doi.org/10.1002/jcc.25648
Pagola GI, Larsen MAB, Ferraro M, Sauer SPA. The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H. J Comput Chem. 2018 Dec 05;39(31):2589-2600. doi: 10.1002/jcc.25648. PMID: 30485474.
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J Comput Chem. 2018 Dec 05;39(31):2589-2600. doi: 10.1002/jcc.25648.

The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H.

Journal of computational chemistry

Gabriel I Pagola, Martin A B Larsen, Marta Ferraro, Stephan P A Sauer

Affiliations

  1. Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and IFIBA, CONICET, Ciudad Universitaria, Pabellón 1, (1428) Buenos Aires, Argentina.
  2. Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100, Copenhagen Ø, Denmark.

PMID: 30485474 DOI: 10.1002/jcc.25648

Abstract

Relativistic and nonrelativistic calculations have been performed on hydrogen peroxide, dihydrogen disulfide, dihydrogen diselenide, and dihydrogen ditelluride, H

© 2018 Wiley Periodicals, Inc.

Keywords: Chiral discrimination; Electric dipole polarizability of nuclear spin-spin coupling; Nuclear magnetic resonance spectroscopy; Relativistic effects; spin-spin coupling constant

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Grant support