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Author Tanwar, Akhilesh ♦ Pal, Sourav
Source CiteSeerX
Content type Text
File Format PDF
Subject Domain (in DDC) Computer science, information & general works ♦ Data processing & computer science
Subject Keyword Correspondence Separability ♦ Local Reactivity Descriptor ♦ Derive Analytic Result ♦ Local Softness ♦ Dimer A2 ♦ Different Local Reactivity Descriptor ♦ Local Philicity ♦ Relative Electrophilicity ♦ Relative Nucleo-philicity ♦ Ab Type ♦ Fukui Function ♦ Finite Difference Approximation
Abstract Abstract. The size-dependence of different local reactivity descriptors of dimer A2 and AB type of sy-tems is discussed. We derive analytic results of these descriptors calculated using finite difference approximation. In particular, we studied Fukui functions, relative electrophilicity and relative nucleo-philicity, local softness and local philicity. The results are explained using the example of the dimer of BH3NH3.
Educational Role Student ♦ Teacher
Age Range above 22 year
Educational Use Research
Education Level UG and PG ♦ Career/Technical Study
Learning Resource Type Article