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Kinetics of the hydrogen abstraction ·C2H5

✍ Scribed by Artur Ratkiewicz,Lam K. Huynh,Quoc B. Pham…


Book ID
126342100
Publisher
Springer
Year
2013
Tongue
English
Weight
800 KB
Volume
132
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES


Kinetics of the hydrogen abstraction ROH
✍ Artur Ratkiewicz; Thanh N. Truong 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 534 KB

## Abstract This paper presents an application of the reaction class transition state theory (RC‐TST) to predict thermal rate constants for the hydrogen abstraction ROH + H → RO^•^ + H~2~ reaction class, where R is an alkyl group. We have derived all parameters for the RC‐TST method for this reac

A quantum mechanical approach to the kin
✍ F. Atadinç; H. Günaydin; A. S. Özen; V. Aviyente 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 215 KB 👁 2 views

## Abstract The kinetics of the hydrogen abstraction from H~2~O~2~ by ^•^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)