bond dissociation energy

 
National Institutes of Health

Topic mentions per year

Topic mentions per year

1996-2018
012319962018

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2013
2013
BACKGROUND The rapid access to intrinsic physicochemical properties of molecules is highly desired for large scale chemical data… (More)
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2013
2013
The changes of bond dissociation energy (BDE) in the C-NO(2) bond and nitro group charge upon the formation of the intermolecular… (More)
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2013
2013
Due to the high bond dissociation energy (BDE) of CF bonds (116 kcal/mol), perfluorooctanoic acid (PFOA) is a highly recalcitrant… (More)
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2012
2012
The negative ion chemistry of five azine molecules has been investigated using the combined experimental techniques of negative… (More)
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2012
2012
S-adenosylmethionine (SAM) plays an essential role in a variety of enzyme-mediated radical reactions. One-electron reduction of… (More)
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2010
2010
The homolytic O-H bond dissociation energy (BDE) of phenol was determined from diffusion Monte Carlo (DMC) calculations using… (More)
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2008
2008
This study explores the use of breathing orbital valence bond (BOVB) trial wave functions for diffusion Monte Carlo (DMC). The… (More)
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2006
2006
The regeneration of alpha-tocopherol (vitamin E; VE) by coantioxidants such as phenolics and ascorbate has been studied in… (More)
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2000
2000
Low-temperature ozonation of isopropyl alcohol (1a) and isopropyl methyl ether (1b) in [D6]acetone, methyl acetate, and tert… (More)
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1996
1996
The bond dissociation energies of the benzylic C-H bond of a series of 16 para-substituted toluene compounds (p-X-C(6)H(4)CH(3… (More)
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