Key words: Fukui function –Basis set –Population scheme –Reactivity –Soft–soft interactionThe use of Fukui functions for the site selectivity of the formaldehyde molecule for nucleophilic, electrophilic and radical attacks has been made with special emphasis to the dependence of Fukui values on ...
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where G is the connector group between the Lewis acidic site, a borane group, and the Lewis basic site, a phosphine fragment, is theoretically investigated through their Lewis acidity and Lewis basicity, as well as the location of the Fukui function and the shape of the molecular electrostatic...
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On the other hand, the functions of the first SVP 23 and second SVP 25, all of which must have high reliability, are a function for monitoring the storage apparatus 3, and a function for notifying the remote maintenance center terminal 13 and client terminal 5. The function for notification...
It is to be understood that the reinforcement traces only function to improve the flexibility of the flexible printed circuit boards. Therefore, with respect to all above embodiments, the reinforcement traces do not electrically connect to any working trace of the working trace region. In a process...
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- 《Brain Structure & Function》 被引量: 40发表: 2008年 A comparison of the CNV in young and old subjects: Its relation to memory and personality Memory and personality of 16 healthy old subjects (8 preseniles and 8 seniles) were assessed by the CLTR of selective reminding (Buschke and ...
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In this article we have tried to critically analyze the factors which cause the condensed Fukui function (FF) indices [f(r)] to attain a negative value in some cases. The evaluation of condensed FF indices needs finite-difference approximation to the electronic charge densities, and the finite...