𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculation of deformation densities in porphyrins

✍ Scribed by Dr. Marc Bénard


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

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


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,

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.