The geometry optimizations for several conformations of tri-, tetra-, and pentacyclosiloxane (H,SiO), ( n = 3, 4, and 5) were carried out, and the relative stabilities were compared at the Hartree-Fock (HF) and second order perturbation theory (MP2) levels of theory using the 6-31G\* and 6-311G(d, p
✦ LIBER ✦
Electronic Spectra of SC n H Radicals ( n = 2−4): An ab Initio Study
✍ Scribed by Flores, J. R.
- Book ID
- 125897400
- Publisher
- American Chemical Society
- Year
- 2003
- Tongue
- English
- Weight
- 104 KB
- Volume
- 107
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ab initio study of cyclic siloxanes (H2S
✍
Kudo, Takako; Hashimoto, Fujiko; Gordon, Mark S.
📂
Article
📅
1996
🏛
John Wiley and Sons
🌐
English
⚖ 482 KB
👁 2 views
An ab initio study on the vibrational an
✍
Liming Wu; Yongfan Zhang; Jianming Hu; Lixin Zhou; Junqian Li
📂
Article
📅
1999
🏛
Elsevier Science
🌐
English
⚖ 224 KB
Molecular structure and electronic prope
✍
P. Kolandaivel; K. Vivekanandan
📂
Article
📅
1993
🏛
Elsevier Science
🌐
English
⚖ 526 KB
Structures, Energetics, and Spectra of C
✍
M. Masamura
📂
Article
📅
2010
🏛
John Wiley and Sons
⚖ 29 KB
👁 2 views
Structures, Energetics, and Spectra of C
✍
Masamura, M.
📂
Article
📅
2002
🏛
American Chemical Society
🌐
English
⚖ 145 KB
HNNH3, a new possible isomer of N2H4: An
✍
Fujiang Ding; Liangfu Zhang
📂
Article
📅
1997
🏛
John Wiley and Sons
🌐
English
⚖ 141 KB
👁 2 views
Ab initio studies applying the 3-21G, 6-31G, and 6-31G\*\* basis sets and also including the MP2 correction were carried out on H NNH , HNNH , and the 2 2 3 transition state of the reaction H NNH HNNH . First, the geometries of molecules 2 2 3 were optimized using the theoretical methods mentioned