The molecular parameters of hydrogen peroxide, H.,O:, have been determined in large-scale ab initio calculations using the coupled cluster method, CCSD(T), and basis sets of doubleto quadruple-zeta quality. With the larogest basis set employed, cc-pVQZ, the equilibrium parameters are determined to b
An ab initio study on the equilibrium structure and torsional potential energy function of dinitrogen tetroxide
β Scribed by Jacek Koput
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 650 KB
- Volume
- 240
- Category
- Article
- ISSN
- 0009-2614
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