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Updated: Jun 25, 2026

Blast Quantification Using Hopkinson Pressure Bars
Published on: July 5, 2016
Orbital representation of kinetic energy pressure
1Department of Chemistry, College of Sciences, Payame Noor University (PNU), Shiraz 71365-944, Iran.
Abstract:
The kinetic energy pressure (KEP) is quantified in terms of displaced charges and their orbital representations. Two deformation density matrices are introduced to separate reorganization of the electron density due to Pauli antisymmetrization from that of orbital relaxation. The formalism is applied to interaction of carbon nanotubes with hydrogen molecule and the results confirmed that KEP has the main contribution to such interaction. Also, it was found that the contribution of KEP can be easily traced in the complex formation.
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