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
โฆ LIBER โฆ
The determination of the equilibrium structures of oxygen, ozone, and hydrogen peroxide using the ab initio and density functional theory methods
โ Scribed by Branko S. Jursic
- Book ID
- 114141964
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 506 KB
- Volume
- 389
- Category
- Article
- ISSN
- 0166-1280
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