Title of article
Effect of electric field on the global and local reactivity indices
Author/Authors
Parthasarathi، نويسنده , , R. Shankar Subramanian، نويسنده , , V. and Chattaraj، نويسنده , , P.K.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
9
From page
48
To page
56
Abstract
We present a comprehensive study of electric field effects on the global and local chemical reactivity indices. We use the effect of an applied uniform electric field on chosen molecules and stockholder population scheme to derive the local reactivity profiles. We find that the changes in the pattern of reactivity indices are strongly influenced when the electric field is applied to the system, this effect being more noticeable as the number of atoms in the molecule increases as well as the strength of the applied field. The field-induced polarization leads to changes in the global and local reactivity descriptors.
Journal title
Chemical Physics Letters
Serial Year
2003
Journal title
Chemical Physics Letters
Record number
1784420
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