Theoretical study of the C–H bond dissociation energy of acetylene

1989 ◽  
Vol 91 (4) ◽  
pp. 2420-2423 ◽  
Author(s):  
Larry A. Curtiss ◽  
John A. Pople
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Theoretical Study ◽  
Bond Dissociation

Bond dissociation energy controlled σ-bond metathesis in alkaline-earth-metal hydride catalyzed dehydrocoupling of amines and boranes: a theoretical study

2017 ◽  
Vol 4 (11) ◽  
pp. 1813-1820 ◽  
Author(s):  
Dongdong Xu ◽  
Chunhui Shan ◽  
Yingzi Li ◽  
Xiaotian Qi ◽  
Xiaoling Luo ◽  
...  
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Metal Hydride ◽  
Bond Energy ◽  
Alkaline Earth ◽  
Theoretical Study ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Bond Dissociation

Alkaline-earth-metal could catalyse the dehydrocoupling procedure of N–H and B–H bond due to the low Ae–H bond energy. The direct σ-bond metathesis procedure is proved to be unfavourable.

Theoretical study on the stability and aromaticity in silapentafulvenes towards triplet ground state species

2020 ◽  
Vol 22 (8) ◽  
pp. 4668-4676 ◽  
Author(s):  
Jiashun Wu ◽  
Alvi Muhammad Rouf ◽  
Yuanyuan Huang ◽  
Danling Zhuang ◽  
Jun Zhu
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Thermodynamic Stability ◽  
Ground State ◽  
Theoretical Study ◽  
Triplet Ground State ◽  
Bond Dissociation ◽  
The Stability ◽  
Relative Thermodynamic Stability

Aromaticity and bond dissociation energy are the origin of the relative thermodynamic stability of silapentafulvenes and their isomers.

Theoretical study of the CH bond dissociation energy of C2H

1990 ◽  
Vol 173 (4) ◽  
pp. 367-370 ◽  
Author(s):  
Charles W. Bauschlicher ◽  
Stephen R. Langhoff
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Theoretical Study ◽  
Bond Dissociation

scholarly journals Theoretical study of the CH bond dissociation energy of acetylene

1990 ◽  
Vol 171 (1-2) ◽  
pp. 42-48 ◽  
Author(s):  
Charles W. Bauschlicher ◽  
Stephen R. Langhoff ◽  
Peter R. Taylor
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Theoretical Study ◽  
Bond Dissociation
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