𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Calculations of the 13 C NMR Spectrum of 2-Propyl Cations in Ion Pairs 1

✍ Scribed by Fǎrcaşiu, Dan; Hâncu, Dan; Haw, James F.


Book ID
126935850
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
105 KB
Volume
102
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio calculation of 1H and 13C NMR
✍ Magdalena Pecul; Karol Jackowski; Krzysztof Wozniak; Joanna Sadlej 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 102 KB

## Ž . Ž . The gauge-independent atomic orbital GIAO method has been used within the coupled Hartree-Fock CHF approximation to compute 1 H and 13 C NMR shielding constants for solid acetylene. As the amount of surrounding crystal lattice is increased, the shielding anisotropy of the carbon nuclei

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