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bond dissociation energy

 
National Institutes of Health

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2019
2019
A fundamental need in chemistry is understanding the chemical bond, for which the most quantitative measure is the bond… Expand
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2012
2012
Cytochrome P450 is a family of enzymes which is estimated to be responsible for over 75% of phase I drug metabolism. In this… Expand
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2008
2008
The geometries of nine CHNO nitro-contained explosive molecules were fully optimized employing the B3LYP method of density… Expand
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Highly Cited
2006
Highly Cited
2006
In the present study, the pH-dependent free radical-scavenging activity of betanin in the Trolox equivalent antioxidant capacity… Expand
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2006
2006
The Fe-CO bond dissociation energy (BDE) in myoglobin (Mb) has been calculated with B3LYP quantum mechanics/molecular mechanics… Expand
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2005
2005
[Ru(VI)(TMP)(NSO2R)2] (SO2R = Ms, Ts, Bs, Cs, Ns; R = p-C6H4OMe, p-C6H4Me, C6H5, p-C6H4Cl, p-C6H4NO2, respectively) and [Ru(VI… Expand
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2005
2005
The homolytic cleavage of the organometallic Co-C bond in vitamin B12-dependent enzymes is accelerated by a factor of… Expand
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2004
2004
[reaction: see text] The temperature dependence of the dissociation of dimers formed from highly stabilized carbon-centered… Expand
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2003
2003
In the study we tried to answer two questions. First, does X-Z homolytic bond dissociation energy (BDE) of Y-C6H4-X-Z obey the… Expand
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2000
2000
Abstract The bond energy (BE) of a polyatomic molecule cannot be measured and, therefore, determination of BEs can only be done… Expand
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