Separability of local reactivity descriptors
نویسندگان
چکیده
منابع مشابه
Separability of local reactivity descriptors
The size-dependence of different local reactivity descriptors of dimer A2 and AB type of systems is discussed. We derive analytic results of these descriptors calculated using finite difference approximation. In particular, we studied Fukui functions, relative electrophilicity and relative nucleophilicity, local softness and local philicity. The results are explained using the example of the di...
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ژورنال
عنوان ژورنال: Journal of Chemical Sciences
سال: 2005
ISSN: 0253-4134,0973-7103
DOI: 10.1007/bf02708355