en>Josve05a: clean up, added orphan tag using AWB

2013-07-23T13:09:59Z

clean up, added orphan tag using AWB

← Older revision		Revision as of 15:09, 23 July 2013
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			<math>\Delta E=2\beta (a_{r}+a_{s})=\beta N_i</math>

			where β is the Huckel interaction parameter and a<sub>r</sub> and a<sub>s</sub> are the coefficients of the highest energy molecular orbital at nearby sites r and s respectively. Dewar's reactivity number is then defined as <math>N_i=2(a_{r}+a_{s})</math>.

			Clearly, the smaller the value of N<sub>i</sub>, the less the destabilization energy in going towards the [[transition state]] and the more reactive the site. Thus, by computation of the molecular orbital coefficients it is possible to evaluate Dewar's number for all the sites and establish which one will be the most reactive. This has been shown to correlate well with experimental results.<ref>{{cite journal \|last1=Smith \|first1= C. Michael\|last2= Savage\|first2=Philip E. \|year=1991 \|title= Reactions of polycyclic alkylaromatics: Structure and reactivity\|journal= AlChE Journal\|volume= 37\|issue=11 \|pages=1613–1624 \|publisher= Wiley\|doi=10.1002/aic.690371104 \|url= http://onlinelibrary.wiley.com/doi/10.1002/aic.690371104/abstract\|accessdate= 2012-05-20}}</ref>

			The method is particularly efficient for [[alternant hydrocarbon]]s in which the coefficients of the non-bonding orbitals involved are very easy to calculate.

			== References ==
			<references/>

			[[Category:Molecular physics]]
			[[Category:Theoretical chemistry]]

24.61.15.6 at 05:49, 30 July 2012

2012-07-30T05:49:34Z

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Background check is carried out by companies and folks to know more about a person and his existing activities, financial transactions, prison records and more. There are a lot of reasons for doing a background examine but it should be executed in detail with proper cross verification wherever necessary. 

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en>Josve05a: clean up, added orphan tag using AWB

24.61.15.6 at 05:49, 30 July 2012