Back to Search
Start Over
Ab initio MO studies on the potential energy surface of the methyl chloride radical anion
- Source :
- Journal of the American Chemical Society. 114:1593-1595
- Publication Year :
- 1992
- Publisher :
- American Chemical Society (ACS), 1992.
-
Abstract
- The potential energy surface of the methyl chloride radical anion has been studied by ab initio molecular orbital theory. The following calculated results are obtained, different from the reported C-Cl dissociation potential curves: (1) A shallow least energy point (stationary point) is found within C 3υ symmetry in cases where dynamical correlation effects are taken into consideration
- Subjects :
- Electronic correlation
Chemistry
Ab initio
Molecular orbital theory
General Chemistry
Biochemistry
Chloride
Catalysis
Dissociation (chemistry)
Bond length
Colloid and Surface Chemistry
Molecular geometry
Computational chemistry
Potential energy surface
Physics::Atomic and Molecular Clusters
medicine
Physics::Chemical Physics
medicine.drug
Subjects
Details
- ISSN :
- 15205126 and 00027863
- Volume :
- 114
- Database :
- OpenAIRE
- Journal :
- Journal of the American Chemical Society
- Accession number :
- edsair.doi...........ef5381d5f1087cc0053298b9763100dc