𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Interpretation of Crystal Effects on NMR Chemical Shift Tensors: Electron and Shielding Deformation Densities

✍ Scribed by Babinský, Martin; Bouzková, Kateřina; Pipíška, Matej; Novosadová, Lucie; Marek, Radek


Book ID
120011139
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
321 KB
Volume
117
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Steric and electronic effects on 195Pt N
✍ Howard C. Clark; A. Martin de P. Nicholas 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 404 KB

## Abstract Platinum‐195 chemical shift measurements for __cis__‐PtCl~2~(PCy~3~)~2~ and __trans__‐PtXCl(PCy~3~)~2~ (X = H, Cl, SnCl~2~Ph and SnCl~3~) in methylene chloride solution are reported. A comparison of these shifts with those from analogous complexes containing less bulky phosphine ligands

Hydrogen Bonding Effects on the 13C NMR
✍ Guang Zheng; Liming Wang; Jianzhi Hu; Xiaodong Zhang; Lianfang Shen; Chaohui Ye; 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 164 KB 👁 2 views

The inÑuence of hydrogen bonding (HB) on the 13C chemical shift tensors in four solid amino acids was studied by the ab initio gauge-included atomic orbital (GIAO) approach. The results of the present calculations were compared with those predicted previously and with the experimentally observed shi

Solvent Effect on the NMR Chemical Shiel
✍ Dr. Vladimir G. Malkin; Dr. Olga L. Malkina; Dr. Gerold Steinebrunner; Dr. Hansp 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 699 KB

The solvent effect on the NMR chemical shielding in liquid water is calculated from a combination of molecular dynamics simulations and quantum chemical calculations for protons and 1 7 0 . The simulations are performed with three different potentials, ab initio as well as empirical ones, to study t