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Novel error propagation approach for reducing H2S/O2 reaction mechanism

✍ Scribed by H. Selim; A.K. Gupta; M. Sassi

Book ID
113460576
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
896 KB
Volume
93
Category
Article
ISSN
0306-2619

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πŸ“œ SIMILAR VOLUMES

A quantum mechanical approach to the kin
A quantum mechanical approach to the kinetics of the hydrogen abstraction reaction H2O2 + β€’OH β†’ HO2 + H2O
✍ F. AtadinΓ§; H. GΓΌnaydin; A. S. Γ–zen; V. Aviyente πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 215 KB πŸ‘ 2 views

## Abstract The kinetics of the hydrogen abstraction from H~2~O~2~ by ^β€’^OH has been modeled with MP2/6‐31G\*//MP2/6‐31G\*, MP2‐SAC//MP2/6‐31G\*, MP2/6‐31+G\*\*//MP2/6‐31+G\*\*, MP2‐SAC// MP2/6‐31+G\*\*, MP4(SDTQ)/6‐311G\*\*//MP2/6‐31G\*, CCSD(T)/6‐31G\*//CCSD(T)/6‐31G\*, CCSD(T)/6‐31G\*\*//CCSD(T)