Found: 20
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Molecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach.
- Published in:
- Scientific Reports, 2016, p. 19889, doi. 10.1038/srep19889
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- Publication type:
- Article
Activity coefficient acquisition with thermodynamics‐informed active learning for phase diagram construction.
- Published in:
- AIChE Journal, 2023, v. 69, n. 8, p. 1, doi. 10.1002/aic.18141
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- Publication type:
- Article
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework.
- Published in:
- AIChE Journal, 2021, v. 67, n. 3, p. 1, doi. 10.1002/aic.17206
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- Publication type:
- Article
The solubility of gases in ionic liquids.
- Published in:
- 2017
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- Publication type:
- Editorial
Force field for the atomistic simulation of the properties of hydrazine, organic hydrazine derivatives, and energetic hydrazinium ionic liquids.
- Published in:
- Pure & Applied Chemistry, 2009, v. 81, n. 10, p. 1799, doi. 10.1351/PAC-CON-08-09-24
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- Publication type:
- Article
Functionalized Phosphonium Cations Enable Zinc Metal Reversibility in Aqueous Electrolytes.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 22, p. 12438, doi. 10.1002/anie.202017020
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- Publication type:
- Article
Benchmark Values: Thermochemistry of the Ionic Liquid [C [sub 4] Py][Cl].
- Published in:
- Australian Journal of Chemistry, 2012, v. 65, n. 11, p. 4, doi. 10.1071/CH12314
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- Publication type:
- Article
MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 18, p. 1321, doi. 10.1002/jcc.26544
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- Publication type:
- 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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- Publication type:
- Article
Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents.
- Published in:
- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-021-27842-z
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- Publication type:
- Article
Predicting the Solubility of Solid Phenanthrene: A Combined Molecular Simulation and Group Contribution Approach.
- Published in:
- AIChE Journal, 2013, v. 59, n. 7, p. 2647, doi. 10.1002/aic.14020
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- Publication type:
- Article
Letter to the Editor.
- Published in:
- AIChE Journal, 2011, v. 57, n. 4, p. 1100, doi. 10.1002/aic.12511
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- Publication type:
- Article
Molecular Simulation of Ammonia Absorption in the Ionic Liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([emim][Tf<sub>2</sub>N]).
- Published in:
- AIChE Journal, 2009, v. 55, n. 9, p. 2414, doi. 10.1002/aic.11910
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- Publication type:
- Article
From Discovery to Data: What Must Happen for Molecular Simulation to Become a Mainstream Chemical Engineering Tool.
- Published in:
- AIChE Journal, 2009, v. 55, n. 6, p. 1304, doi. 10.1002/aic.11932
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- Publication type:
- Article
Ionic liquids: Innovative fluids for chemical processing.
- Published in:
- AIChE Journal, 2001, v. 47, n. 11, p. 2384, doi. 10.1002/aic.690471102
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- Publication type:
- Article
Impact of confinement on zeolite cracking selectivity via Monte Carlo integration.
- Published in:
- AIChE Journal, 2000, v. 46, n. 12, p. 2504, doi. 10.1002/aic.690461217
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- Publication type:
- Article
Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: Development and implementation of the continuous fractional component move.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 15, p. 2520, doi. 10.1002/jcc.20977
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- Publication type:
- Article
Functionalized Phosphonium Cations Enable Zinc Metal Reversibility in Aqueous Electrolytes.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 22, p. 12546, doi. 10.1002/ange.202017020
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- Publication type:
- Article
Materials and Processes for Carbon Capture and Sequestration.
- Published in:
- ChemSusChem, 2010, v. 3, n. 8, p. 863, doi. 10.1002/cssc.201000235
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- Publication type:
- Article
Prediction of membrane separation efficiency for hydrophobic and hydrophilic proteins: A coarse-grained Brownian dynamics simulation study.
- Published in:
- Journal of Molecular Modeling, 2019, v. 25, n. 5, p. 1, doi. 10.1007/s00894-019-3985-8
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- Publication type:
- Article