Výsledky vyhledávání - "Dustin C. Wade"

Computation of through-space NMR shielding effects by small-ring aromatic and antiaromatic hydrocarbons

Autor: David M. Loveless, Kristin L. Main, Dustin C. Wade, Ned H. Martin

Publikováno v: Journal of Molecular Graphics and Modelling. 25:389-395

The GIAO-HF method in Gaussian 03 was employed to calculate the isotropic NMR shielding values of a diatomic hydrogen probe above simple small-ring aromatic and antiaromatic hydrocarbons, including neutral and ionic examples. Subtraction of the isotr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9989d49bfb9a0bba8436df74e7b7d38
https://doi.org/10.1016/j.jmgm.2006.02.006

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A comparison of calculated NMR shielding probes

Autor: David M. Loveless, Dustin C. Wade, Ned H. Martin

Publikováno v: Journal of molecular graphicsmodelling. 23(3)

In a strong magnetic field, covalently bonded hydrogen nuclei located over the plane of an anisotropic pi bond-containing functional group experience magnetic shielding (or deshielding) that results from the combined effect of the magnetic anisotropy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a178179890fd8469b1fa74e736916d9a
https://pubmed.ncbi.nlm.nih.gov/15530824

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