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Equilibrium Structure and HCC Bending Potential Energy Function of 3 A ‘ ‘ HCCN

✍ Scribed by Koput, Jacek

Book ID
127346351
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
61 KB
Volume
106
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES

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