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NMR chemical shift bond length derivatives of the first- and second-row hydrides

✍ Scribed by D.B. Chesnut

Book ID
107942240
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
519 KB
Volume
110
Category
Article
ISSN
0301-0104

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πŸ“œ SIMILAR VOLUMES

Chemical shift bond derivatives for mole
Chemical shift bond derivatives for molecules containing first-row atoms
✍ D. B. Chesnut; D. W. Wright πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 1012 KB

The primary and secondary first and second derivatives of the NMR isotropic chemical shift with respect to bond length modification have been calculated in the gauge invariant atomic orbital (GIAO) perturbed Hartree-Fock approach for some 177 first-row nuclei in 63 molecules using the mixed basis he