Ab initio calculations for some OXO anions of chlorine, bromine and iodine
| Autor: | Christoph Oberle, Hans H. Eysel |
|---|---|
| Rok vydání: | 1993 |
| Předmět: |
chemistry.chemical_classification
Bromine Inorganic chemistry chemistry.chemical_element Condensed Matter Physics Biochemistry Ion Dipole chemistry Polarizability Ab initio quantum chemistry methods Physics::Atomic and Molecular Clusters Chlorine Physical chemistry Physics::Atomic Physics Physics::Chemical Physics Physical and Theoretical Chemistry Inorganic compound Basis set |
| Popis: | For the XO−, XO−2 XO−3, and XO−4 ions of chlorine, bromine and iodine, ab initio calculations were performed at the SCF level, using an effective core potential basis set. The properties calculated include dipole moment, polarizability, force-constant matrix, dipole moment and polarizability derivatives with respect to vibrational symmetry coordinates. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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