https://www.selleckchem.com/pr....oducts/Sunitinib-Mal
We identify the asymmetry in reaction rates as a function of discharge/charge naturally within this approach.A molecular mechanical model for liquid water is developed that uses a physically motivated potential to represent Pauli repulsion and dispersion instead of the standard Lennard-Jones potential. The model has three atomic sites and a virtual site located on the ∠HOH bisector (i.e., a TIP4P-type model). Pauli-repulsive interactions are represented using a Buckingham-type exponential decay potential. Dispersion in
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