DFT Study of the Products, Potential Energy Surface, and Substituent Effects for Methyl Radical Addition to [Rh(PMe3)2(CO)X] (X = Halogen or CN)

2008 ◽  
Vol 27 (9) ◽  
pp. 2004-2012 ◽  
Author(s):  
Nadeen H. Nsouli ◽  
Issaaf Mouawad ◽  
Faraj Hasanayn
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Substituent Effects ◽  
Radical Addition ◽  
Dft Study ◽  
Methyl Radical

The reaction of methyl radical with nitrogen atom on the triplet potential energy surface: A CCSD(T)/CBS characterization

2008 ◽  
Vol 457 (1-3) ◽  
pp. 36-41 ◽  
Author(s):  
Tiago Vinicius Alves ◽  
Antonio Gustavo S. de Oliveira Filho ◽  
Fernando R. Ornellas
Keyword(s):  
Nitrogen Atom ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Methyl Radical

Triplet potential energy surface for BH2N: A DFT study

2005 ◽  
Vol 103 (4) ◽  
pp. 422-431 ◽  
Author(s):  
Jian-Guo Zhang ◽  
Qian Shu Li ◽  
Shao-Wen Zhang
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Dft Study
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