𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the carbenoid CH2FLi: Structures and energies of the stable configurations and transition states

✍ Scribed by Brian T. Luke; John A. Pople; Paul von Ragué Schleyer; Timothy Clark


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
555 KB
Volume
102
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Energies, fine structures, and transitio
✍ Deng Wensheng; Gou Bingcong; Han Lihong; Li Qianshu 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 197 KB 👁 2 views

The energies and fine structures of some doubly excited resonances of lithiumlike beryllium are calculated using the saddle-point variational method. A restricted variational method is used to extrapolate a better nonrelativistic energy. Relativistic and mass polarization corrections are included. O

Theoretical study of the structure and u
✍ David J. Swanton; David C. J. Marsden; Leo Radom 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 707 KB

Ab initio molecular orbital calculations with split-valence plus polarization basis sets and incorporating valenceelectron correlation have been performed to determine the equilibrium structure of ethyloxonium (I CH,CH,OH, 1 +) and examine its modes of unimolecular dissociation. An asymmetric struct

Theoretical studies on the structures an
✍ Qiwen Teng; Xuezhuang Zhao; Zun-Sheng Cai; Au Chin Tang 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 174 KB 👁 2 views

Intermediate neglect of differential overlap INDO calculations were used to study the structure of C CH . It was found that the CH group is mainly added to the C ᎏC 70 2 2 I II Ž . C represents the first kind of carbon atom and so on or the C ᎏC bond in C and I III III 70 a cyclopropane feature with

Ab initio studies on the structures and
✍ Huayu Qiu; Conghao Deng 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 304 KB

The potential energy surface of the singlet carbenoid H2CLiCI has been examined using ab initio methods including electron correlation. The 6-31G \* basis set was used for all geometry optimizations. Three equilibrium structures and two isomeric transition states were located, but only the lowest en