Theoretical study of structures of the X2CO and XYCO molecules (X and Y = H, F, or Cl) in the ground and lowest excited triplet electronic states
β Scribed by S. I. Bokarev; E. K. Dolgov; I. A. Godunov
- Publisher
- Springer
- Year
- 2005
- Tongue
- English
- Weight
- 285 KB
- Volume
- 54
- Category
- Article
- ISSN
- 1573-9171
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## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v
Equilibrium structural parameters and dissociation energies of the bihalide ions, MXY-(M = H, Li, Na; X, Y = F, C1) have been calculated at the HF and post-HF (MPn) levels using 6-31 + G\* and 6-311 + G\* basis sets. All the species are predicted to be linear, and the calculated quantities are in go