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An ab initio study on the equilibrium structure and torsional potential energy function of disulfane

โœ Scribed by Jacek Koput


Book ID
107736610
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
372 KB
Volume
259
Category
Article
ISSN
0009-2614

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An ab initio study on the equilibrium st
โœ Jacek Koput ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 472 KB

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