𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The stability and nature of an SiC double bond. An ab initio mo study for 1,1-dimethylsilaethylene

✍ Scribed by M. Hanamura; S. Nagase; K. Morokuma

Book ID
104241642
Publisher
Elsevier Science
Year
1981
Tongue
French
Weight
260 KB
Volume
22
Category
Article
ISSN
0040-4039

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A G1 ab initio MO study of the distonic
A G1 ab initio MO study of the distonic ions H2COSi+ and their isomers
✍ A. Luna; O. Mó; M. Yáñez 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 398 KB

Ab initio molecular orbital calculations at the Gl level have been used to examine the structure and relative stabilities of the H#ZOSi+ molecular ions. Our results show that the two most stable species correspond to a distonic and to a non-d&tonic ion, the former being 6.7 kcal/mol more stable than

Rotation around the C1C2 bond of propyla
Rotation around the C1C2 bond of propylamine, an ab initio study
✍ Lawrence R. Schmitz; Norman L. Allinger; Salvatore Profeta Jr. 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 420 KB 👁 2 views

A b initio Hartree-Fock calculations at the 6-31G\*//6-31G\* and MP3/6-31G\*//6-31G\* levels of theory are reported for propylamine. All ten stationary points needed in a description of the rotation around the C1-C2 bond have been located on the 6-31G\* surface and each of these points has been exam