https://www.selleckchem.com/pr....oducts/donafenib-sor
In experiments on real polymers, γ undergoes a sharp discontinuity at the glass transition. By contrast, in our MD simulations, γ varies smoothly over a broad transition region.Force fields for four small molecules, methane, ethane, methanol, and ethanol, were created by force matching MP2 gradients computed with triple-zeta-quality basis sets using the Adaptive Force Matching method. Without fitting to any experimental properties, the force fields created were able to predict hydration free energies, enthalpies of hydrat
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