𝔖 Bobbio Scriptorium
✦   LIBER   ✦

ab initio Calculation of Deformation Densities in Porphyrins

✍ Scribed by Prof. Dr. Marc Bénard


Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
252 KB
Volume
21
Category
Article
ISSN
0044-8249

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio Calculations of 119Sn Magnetic
✍ Angel C. de Dios 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 488 KB 👁 2 views

Ab initiu methods are now known to reproduce satisfactorily the nuclear magnetic shielding for various first-and second-row nuclei. In this paper, calculated values for the '19Sn shielding in SnH,, Sn(CH,), and SnCI, are presented and compared with the recently established absolute shielding scale.

Ab initio calculation of NMR shielding i
✍ A. B. Rozhenko; W. W. Schoeller; M. I. Povolotskii 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 158 KB 👁 1 views

31 P and 13 C chemical shielding values, iso , were calculated for a series of phosphaalkenes X-P CY 2 with a variety of substituents such as X H, CH 3 , F, Cl, Br, OH, NH 2 , PH 2 , SiH 3 , CN and Y H, CH 3 , NH 2 , SiH 3 , using the GIAO procedure at the RHF/6-311 C G(d,p) and RHF/6-311 C G(2d,