Ab Initio G3-type/Statistical Theory Study of the Formation of Indene in Combustion Flames. I. Pathways Involving Benzene and Phenyl Radical†

2007 ◽  
Vol 111 (19) ◽  
pp. 3922-3931 ◽  
Author(s):  
V. V. Kislov ◽  
A. M. Mebel
Keyword(s):  
Statistical Theory ◽  
Ab Initio ◽  
Phenyl Radical

Unimolecular isomerization/decomposition of ortho-benzyne: ab initio MO/statistical theory study

1999 ◽  
Vol 1 (17) ◽  
pp. 3967-3972 ◽  
Author(s):  
L. V. Moskaleva ◽  
L. K. Madden ◽  
M. C. Lin
Keyword(s):  
Statistical Theory ◽  
Ab Initio ◽  
Ab Initio Mo

Formation of the Phenyl Radical [C6H5(X2A1)] under Single Collision Conditions: A Crossed Molecular Beam and ab Initio Study

2010 ◽  
Vol 132 (8) ◽  
pp. 2672-2683 ◽  
Author(s):  
Fangtong Zhang ◽  
Brant Jones ◽  
Pavlo Maksyutenko ◽  
Ralf I. Kaiser ◽  
Christine Chin ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Beam ◽  
Phenyl Radical ◽  
Ab Initio Study ◽  
Single Collision ◽  
Crossed Molecular Beam
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