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The Equilibrium Structure and Torsional Potential Energy Function Of Methanol and Silanol

โœ Scribed by Koput, Jacek

Book ID
120429407
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
52 KB
Volume
104
Category
Article
ISSN
1089-5639

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An ab initio study on the equilibrium st
An ab initio study on the equilibrium structure and torsional potential energy function of hydrogen peroxide
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