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Theoretical investigations on the electronic and optical characteristics of fused-ring homopolymers:Comparison of oligomer method and PBC
HMX NTO cocrystal intermolecular interaction AIM NBO thermodynamic properties detonation performance
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2016/12/2
The electronic and optical characteristics of conjugated polymers are the curial parameters for their photovoltaic and photonic applications. Here, the electronic and optical properties of six selecte...
Comparison of Thermodynamic Characteristics in Quantum and Classical Approaches and Game Theory
Comparison Thermodynamic Characteristics Quantum Classical Approaches Game Theory
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2010/11/11
We fix the temperature $T$ and consider mean energy and entropy as two players of a game. As a result, basic formulas for the quantum mean energy and the quantum entropy are derived. We compare also t...