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Hardness dynamics in a chemical reaction

✍ Scribed by P.K. Chattaraj; S. Nath

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
543 KB
Volume
217
Category
Article
ISSN
0009-2614

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✦ Synopsis

Temporal evolution of local and global hardness during a chemical reaction modelled as a collision process between a nitrogen atom and a proton has been studied within a quantum fluid density functional framework. Variation of local hardness is similar to that of charge density. Time dependence of global hardness seems to be governed by a dynamic variant of the maximum hardness principle.

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## Abstract The nonadiabatic quantum dynamics and Coriolis coupling effect in chemical reaction have been reviewed, with emphasis on recent progress in using the time‐dependent wave packet approach to study the Coriolis coupling and nonadiabatic effects, which was done by K. L. Han and his group. S