𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Calculation of Aqueous Aluminum and Aluminum−Carboxylate Complex Energetics and 27 Al NMR Chemical Shifts

✍ Scribed by Kubicki, J. D.; Sykes, D.; Apitz, S. E.


Book ID
119940090
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
188 KB
Volume
103
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Calculation of ligand NMR chemical shift
✍ Martin Kaupp; Vladimir G. Malkin; Olga L. Malkina; Dennis R. Salahub 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 476 KB

A combination of ab initio effective-core potentials and sum-over-states density functional perturbation theory has been used to calculate 13C NMR chemical shifts in a series of transition-metal organometallic complexes, up to and including sixth-period species. Thus, for the first time both electro

Study of structures, energetics, IR spec
✍ Golam Rasul; Jonathan L. Chen; G.K. Surya Prakash; George A. Olah 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 896 KB

The C 2 conformation 3 was established to be the preferred conformation of the isopropyl cation. The calculated 13 C NMR chemical shifts of C 2 conformation 3 also agree very well with the experimental data. However, this is, in contrast with the recent claims by Fa ˘rcas ßiu and coworkers, who foun