Found: 14
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Revisiting the Clausius/Clapeyron Equation and the Cause of Linearity.
- Published in:
- Thermo, 2023, v. 3, n. 3, p. 412, doi. 10.3390/thermo3030025
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- Article
Correlating Pure Component Properties with MOSCED Solubility Parameters: Enthalpy of Vaporization and Vapor Pressure.
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- ChemEngineering, 2023, v. 7, n. 2, p. 25, doi. 10.3390/chemengineering7020025
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- Article
Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 9, p. 687, doi. 10.1007/s10822-022-00474-1
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- Article
Predicting the Solubility of Nonelectrolyte Solids Using a Combination of Molecular Simulation with the Solubility Parameter Method MOSCED: Application to the Wastewater Contaminants Monuron, Diuron, Atrazine and Atenolol.
- Published in:
- Processes, 2022, v. 10, n. 3, p. 538, doi. 10.3390/pr10030538
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- Article
A Molecular Investigation of the Solvent Influence on Inter- and Intra-Molecular Hydrogen Bond Interaction of Linamarin.
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- Processes, 2022, v. 10, n. 2, p. 352, doi. 10.3390/pr10020352
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- Article
Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol.
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 10, p. 1009, doi. 10.1007/s10822-021-00415-4
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- Article
Thermodynamics and Machine Learning Based Approaches for Vapor–Liquid–Liquid Phase Equilibria in n -Octane/Water, as a Naphtha–Water Surrogate in Water Blends.
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- Processes, 2021, v. 9, n. 3, p. 413, doi. 10.3390/pr9030413
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- Article
Thermal Stability of Ionic Liquids: Current Status and Prospects for Future Development.
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- Processes, 2021, v. 9, n. 2, p. 337, doi. 10.3390/pr9020337
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- Article
Solvent Extraction of Boric Acid: Comparison of Five Different Monohydric Alcohols and Equilibrium Modeling with Numerical Methods.
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- Processes, 2021, v. 9, n. 2, p. 398, doi. 10.3390/pr9020398
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- Article
Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models.
- Published in:
- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 5, p. 575, doi. 10.1007/s10822-020-00293-2
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- Article
Assessment of the SM12, SM8, and SMD Solvation Models for Predicting Limiting Activity Coefficients at 298.15 K.
- Published in:
- Processes, 2020, v. 8, n. 5, p. 623, doi. 10.3390/pr8050623
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- Article
Cassandra: An open source Monte Carlo package for molecular simulation.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 19, p. 1727, doi. 10.1002/jcc.24807
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- Article
Computing MOSCED parameters of nonelectrolyte solids with electronic structure methods in SMD and SM8 continuum solvents.
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- AIChE Journal, 2017, v. 63, n. 2, p. 781, doi. 10.1002/aic.15413
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- Article
Predicting the Solubility of Solid Phenanthrene: A Combined Molecular Simulation and Group Contribution Approach.
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- AIChE Journal, 2013, v. 59, n. 7, p. 2647, doi. 10.1002/aic.14020
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- Article