The C−H and α(C−X) Bond Dissociation Enthalpies of Toluene, C6H5-CH2X (X = F, Cl), and Their Substituted Derivatives:  A DFT Study

2005 ◽  
Vol 109 (45) ◽  
pp. 10342-10347 ◽  
Author(s):  
Pham-Cam Nam ◽  
Minh Tho Nguyen ◽  
Asit K. Chandra
Keyword(s):  
Dft Study ◽  
Bond Dissociation

scholarly journals The C-H Bond Dissociation Enthalpies and Estimation of the Kinetics of Hydrogen Abstraction by OH radical for Fluorinated Formates: A DFT Study

2001 ◽  
Vol 2 ◽  
pp. 45-51 ◽  
Author(s):  
Shingo Urata ◽  
Tadafumi Uchimaru ◽  
Asit K. Chandra ◽  
Akira Takada ◽  
Akira Sekiya
Keyword(s):  
Hydrogen Abstraction ◽  
Dft Study ◽  
Oh Radical ◽  
Bond Dissociation ◽  
Kinetics Of

A DFT study of bond dissociation energies of several alkyl nitrate and nitrite compounds

2008 ◽  
Vol 854 (1-3) ◽  
pp. 76-80 ◽  
Author(s):  
Xiao-Hong Li ◽  
Zheng-Xin Tang ◽  
Abraham F. Jalbout ◽  
Xian-Zhou Zhang ◽  
Xin-Lu Cheng
Keyword(s):  
Dft Study ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Alkyl Nitrate ◽  
Nitrate And Nitrite

scholarly journals A DFT Study of R−X Bond Dissociation Enthalpies of Relevance to the Initiation Process of Atom Transfer Radical Polymerization

2003 ◽  
Vol 36 (22) ◽  
pp. 8551-8559 ◽  
Author(s):  
Malcolm B. Gillies ◽  
Krzysztof Matyjaszewski ◽  
Per-Ola Norrby ◽  
Tomislav Pintauer ◽  
Rinaldo Poli ◽  
...  
Keyword(s):  
Atom Transfer Radical Polymerization ◽  
Radical Polymerization ◽  
Dft Study ◽  
Atom Transfer ◽  
Bond Dissociation ◽  
Initiation Process

The DFT study on Rh–C bond dissociation enthalpies of (iminoacyl)rhodium(III)hydride and (iminoacyl)rhodium(III)alkyl

2019 ◽  
Vol 60 (3) ◽  
pp. 310-321 ◽  
Author(s):  
Huifang Chang ◽  
Wenrui Zheng ◽  
Yuanyuan Zheng ◽  
Danfeng Zhu ◽  
Jiaoyang Wang
Keyword(s):  
Dft Study ◽  
Bond Dissociation
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