A theoretical study of the stability and the molecular electronic structure of methylene peroxide (CH2O2)
✍ Scribed by Tae-Kyu Ha; H. Kühne; S. Vaccani; Hs.H. Günthard
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 276 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Electron correlation effects are shown to play a major role in determining the relative stability of the various forms of (NaCl),+. The DZh form of (NaCI): is found to be 0.64 eV more stable than the C,, structure. The NaJl+ Cl complexes investigated by other researchers are found not to be potentia
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
From recent He1 photoelectron spectroscopic work on the water dimer in a supersonic nozzle beam, Tomoda et al. [l] reached the following conclusions. (1) The first two photoelectron bands of the water dimer appear with maxima at 12.1 + 0.1 and 13.2 2 0.2 eV, corresponding to the first two vertical i
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