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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 31, Number 3
BKCSDE 31(3)
March 20, 2010 

 
Title
Reactions of Acetyl Radical with Acetylene ? A Computational Study Tu Anh Tran, Carl H. Schiesser*
Author
Ab initio, DFT molecular orbital calculations predict that acetyl radical reacts with acetylene through interactions primarily involving the SOMO of the radical, the in plane π bond of acetylene An energy barrier (ΔE1) of 39.6 kJ mol1 is predic
Keywords
Acetyl radical, Acetylene, Molecular orbital calculations
Abstract
No Abstract
Page
595 - 598
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