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Molecular mechanics and equation of state modeling of compressible polyolefin solutions: Impact of pressure and cut-off radius of intermolecular potentials
British Library Online Contents | 2015| -
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules
American Chemical Society | 2018| -
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner
American Chemical Society | 2016|
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