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Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection
by
Cox, Courtney E.
,
Phifer, Jeremy R.
,
Ferreira da Silva, Larissa
,
Gonçalves Nogueira, Gabriel
,
Ley, Ryan T.
,
O’Loughlin, Elizabeth J.
,
Pereira Barbosa, Ana Karolyne
,
Rygelski, Brett T.
,
Paluch, Andrew S.
Published in
Journal of computer-aided molecular design
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Predicting the Solubility of Nonelectrolyte Solids Using a Combination of Molecular Simulation with the Solubility Parameter Method MOSCED: Application to the Wastewater Contaminan...
by
Ollier, Rachel
,
Nguyen, Thomas
,
Agarwal, Hrithik
,
Phifer, Jeremy
,
Ferreira da Silva, Larissa
,
Gonçalves Nogueira, Gabriel
,
Pereira Barbosa, Ana
,
Ley, Ryan
,
O’Loughlin, Elizabeth
,
Rygelski, Brett
,
Sabatino, Spencer
,
Paluch, Andrew
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Processes
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Journal Of Computer-Aided Molecular Design
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