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On the r0∗ structure and the torsional potential function of hydrogen peroxide

✍ Scribed by J. Koput


Book ID
107802343
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
287 KB
Volume
115
Category
Article
ISSN
0022-2852

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An ab initio study on the equilibrium st
✍ Jacek Koput 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 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