Calculation of NMR Chemical Shifts and Spin−Spin Coupling Constants in the Monosaccharide Methyl-β-d-xylopyranoside Using a Density Functional Theory Approach-Reference-Cited by-同舟云学术

Calculation of NMR Chemical Shifts and Spin−Spin Coupling Constants in the Monosaccharide Methyl-β-d-xylopyranoside Using a Density Functional Theory Approach

Published:1997-12-01 Issue:50 Volume:101 Page:9756-9762
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hricovíni M.¹,Malkina O. L.¹,Bízik F.¹,Nagy L. Turi¹,Malkin V. G.¹

Affiliation:

1. Institute of Chemistry, Computing Center, Institute of Virology, and Institute of Inorganic Chemistry, Slovak Academy of Sciences, SK-84236 Bratislava, Slovakia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp972071z

Reference48 articles.

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3. Grant, D. M.; Facelli, J. C.; Alderman, D. W.; Sherwood, M. H. InNuclearMagnetic Shieldings and Molecular Structure; Tossell, J. A., Ed.; Kluwer Academic Publishers: Dordrecht, 1993; p 367.

4. Ab Initio IGLO Studies of the Conformational Dependence of the γ-Effect in the 13C NMR Spectra of Cyclic Hydrocarbons

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