𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Medium Effects on 51V NMR Chemical Shifts: A Density Functional Study

✍ Scribed by Michael Bühl; Michele Parrinello


Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
150 KB
Volume
7
Category
Article
ISSN
0947-6539

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


NMR chemical shielding surface ofN-Acety
✍ Sulzbach, Horst M.; Vacek, George; Schreiner, Peter R.; Galbraith, John Morrison 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 418 KB

The five energetically lowest minima on the potential energy surface of Nacetyl-NЈ-methylalaninamide were optimized at the Becke3LYPrDZ d level of theory to compare these density functional theory results with the literature findings at restricted Hartree᎐Fockr3᎐21G. While the relative energies are

Substituent effects on 15N NMR chemical
✍ Witold Przychodzeń; Leszek Doszczak; Janusz Rachon 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 110 KB

## Abstract The ^15^N NMR spectra of three __N__‐alkyl‐δ‐carbomethoxyvalerothiohydroxamic acids (**2**) and six synthesized __N__‐isopropylbenzothiohydroxamic acids (**3**) were measured and compared with appropriate spectra of structurally similar hydroxylamines (**1**), benzohydroxamic acids (**4

Deuterium isotope effects on 13C NMR che
✍ D. W. Jones; J. D. Shaw 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 279 KB

The 100.6MHz =C off-resonance-decoupled and polarization-lransfer NMR spectra of 7,12dimethylbenz[a]anthracene and its 5-deuteriated analogue in deuteriated chloroform solution enabled assignments of the shifts of C-3 and C-5 to be revised, and other spectral ambiguities to be reduced. Negative, i.e

Substituent effects on 15N and 13C NMR c
✍ Mark H. Schofield; Marie-Adele Sorel; Ryan J. Manalansan; David P. Richardson; J 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 148 KB

## Abstract The synthesis and assignment of ^15^N and ^13^C NMR signals of the isoxazole ring in a series of __para__‐substituted 3‐phenyl derivatives are reported. DFT calculations of ^15^N and ^13^C chemical shifts are presented and compared to observed values. Substituent effects are interpreted