The Reaction of Phenyl Radical with Molecular Oxygen:  A G2M Study of the Potential Energy Surface

2005 ◽  
Vol 109 (27) ◽  
pp. 6114-6127 ◽  
Author(s):  
Igor V. Tokmakov ◽  
Gap-Sue Kim ◽  
Vadim V. Kislov ◽  
Alexander M. Mebel ◽  
Ming C. Lin
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Molecular Oxygen ◽  
Energy Surface ◽  
Phenyl Radical

scholarly journals Formation of bicyclic polycyclic aromatic hydrocarbons (PAHs) from the reaction of a phenyl radical with cis-3-penten-1-yne

RSC Advances ◽  
2018 ◽  
Vol 8 (24) ◽  
pp. 13226-13236 ◽  
Author(s):  
Mingrui Wei ◽  
Tingting Zhang ◽  
Xianfeng Chen ◽  
Fuwu Yan ◽  
Guanlun Guo ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Aromatic Hydrocarbons ◽  
Energy Surface ◽  
Phenyl Radical ◽  
Polycyclic Aromatic

The formation of PAHs within 4-, 5-, 6- and 7-membered rings on the C6H5 + C5H6 potential energy surface.

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