✦ LIBER ✦

The torsion potential function of hydrogen peroxide and disulfan molecules

✍ Scribed by M. B. Shundalov; G. A. Pitsevich

Book ID: 110621560
Publisher: Springer US
Year: 2000
Tongue: English
Weight: 262 KB
Volume: 67
Category: Article
ISSN: 0021-9037
DOI: 10.1007/bf02681293

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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

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