𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Inversion splittings of SiH3−. An ab initio study

✍ Scribed by V Špirko; W.P Kraemer


Book ID
114141554
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
88 KB
Volume
547
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio study of the SiH5 species
✍ Jerzy Moc; Jerzy M. Rudziński; Henryk Ratajczak 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 510 KB
Anharmonic effects in the infra-red spec
✍ Günter Klatt; Andrew Willets; Nicholas C. Handy 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 440 KB

The potential energy surface of SiH3Br was calculated up to quartic terms by ab initio quantum chemistry. To obtain the harmonic force field we performed a MP2 calculation with a large (TZ2P) basis set, while the cubic and quartic components have been evaluated both at SCF and MP2 levels. Second-ord