Prediction of carbon-hydrogen bond dissociation energies for polycyclic aromatic hydrocarbons of arbitrary size

1991 ◽  
Vol 113 (3) ◽  
pp. 787-793 ◽  
Author(s):  
Stephen E. Stein ◽  
R. L. Brown
Keyword(s):  
Hydrogen Bond ◽  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Bond Dissociation Energies ◽  
Arbitrary Size ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Polycyclic Aromatic

scholarly journals Benchmark calculations for bond dissociation energies and enthalpy of formation of chlorinated and brominated polycyclic aromatic hydrocarbons

RSC Advances ◽  
2021 ◽  
Vol 11 (47) ◽  
pp. 29690-29701
Author(s):  
Shenying Xu ◽  
Quan-De Wang ◽  
Mao-Mao Sun ◽  
Guoliang Yin ◽  
Jinhu Liang
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Enthalpy Of Formation ◽  
Bond Dissociation Energy ◽  
Aromatic Hydrocarbons ◽  
State Of The Art ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Composite Methods ◽  
Polycyclic Aromatic

Benchmark calculations using state-of-the-art DFT functionals and composite methods for bond dissociation energy and enthalpy of formation of halogenated polycyclic aromatic hydrocarbons are performed.

The CH bond dissociation energies of polycyclic aromatic hydrocarbons

1996 ◽  
Vol 366 (3) ◽  
pp. 219-226 ◽  
Author(s):  
Jun-ichi Aihara ◽  
Kenji Fujiwara ◽  
Akinori Harada ◽  
Hiroshi Ichikawa ◽  
Kunio Fukushima ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Polycyclic Aromatic

Oxygen-hydrogen bond dissociation energies in para-substituted phenols

1988 ◽  
Vol 110 (12) ◽  
pp. 4090-4092 ◽  
Author(s):  
P. Mulder ◽  
O. W. Saastad ◽  
D. Griller
Keyword(s):  
Hydrogen Bond ◽  
Bond Dissociation Energies ◽  
Substituted Phenols ◽  
Bond Dissociation ◽  
Dissociation Energies

The Determination of Silicon-Carbon and Silicon-Hydrogen Bond Dissociation Energies by Electron Impact

1962 ◽  
Vol 84 (23) ◽  
pp. 4441-4445 ◽  
Author(s):  
W. C. Steele ◽  
L. D. Nichols ◽  
F. G. A. Stone
Keyword(s):  
Hydrogen Bond ◽  
Electron Impact ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Silicon Carbon

The germanium-hydrogen bond dissociation energies of organogermanes. A laser-induced photoacoustic study

1991 ◽  
Vol 10 (3) ◽  
pp. 746-750 ◽  
Author(s):  
K. Brady. Clark ◽  
David. Griller
Keyword(s):  
Hydrogen Bond ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies
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