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In molecular system, this energy gap is generally approximated to the chemical hardness [30].
Formula (1) represents the motion of the electrons in the molecular system.
Elements described by the model cover the concepts of authorship, molecular system, computational method and platforms.
The topology files should be associated to the molecular system instead.
The color noise describes interaction of the molecular system with the thermostat.
This paper describes novel investigations within this framework that draw from molecular system dynamics.
It provides information on the time evolution of the molecular system.
Figure 10 Decomposition of the molecular system into molecules with structural and biological features.
Molecular system: description of the simulated molecules from a structural, chemical, and biological point of view.
Green: classes describing the molecular system independently from the computational methods.
The continuum temperature to the molecular system is accomplished by an energy transfer scheme.
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