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These numerical results provide strong evidence demonstrating that the multi-scale terrain/funneling method is a powerful global optimization method for solving molecular conformation problems.
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We demonstrate the use of the parallel code to a molecular conformation problem.
Generalized geometric programming refers to optimization problems that involve signomial functions which have applications in process synthesis, process design, molecular conformation, chemical equilibrium.
The main result of the paper concerning the discrete isoperimetric inequality will be presented in Section 2. Generalized geometric programming refers to optimization problems that involve signomial functions which have applications in process synthesis, process design, molecular conformation, chemical equilibrium.
The effect of molecular conformation is then investigated.
Koch, N. et al. Influence of molecular conformation on organic/metal interface energetics.
As well known, luminescence change is the outcome of variation of intermolecular interaction and molecular conformation during morphology transformation.
AIEgens often have twisted molecular conformation, such as twisted intramolecular charge transfer conformation50, cis trans isomerized configuration51, herringbone conformation52, etc.
Thus, the amorphous state can be considered as a state close to gas state with similar molecular conformation.
Szymanski, J. M., Sevcik, E. N., Zhang, K. & Feinberg, A. W. Stretch-dependent changes in molecular conformation in fibronectin nanofibers.
This limits our ability to study how strain-induced changes in molecular conformation relate to their mechanics and biological function.
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