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Theoretical and Computational Chemistry

Working Paper

The Role of Surfactant Force Field on the Properties of Liquid/Liquid Interfaces

Michael Servis, Alex McCue, Amanda Casella, Aurora Clark

334

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Inorganic Chemistry

Working Paper

Rethinking the Magnetic Properties of Lepidocrocite: A Density Functional Theory and Cluster Expansion Study

Daniel Pope, Aurora Clark, Micah Prange, Kevin Rosso

542

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Inorganic Chemistry

Working Paper

Competitive Interactions at Electrolyte/Octanol Interfaces - A Molecular Perspective

Nitesh Kumar, Michael J. Servis, Zhu Liu, Aurora Clark

438

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Theoretical and Computational Chemistry

Working Paper

Reimagining Third Phase Formation as the Miscibility Gap of a Molecular Solution

Michael Servis, David T. Wu, Jenife Shafer, Aurora Clark

536

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics

Yunfeng Hu, Phonemany Ounkham, Ondrej Marsalek, Thomas E. Markland, Bala Krishnamoorthy, Aurora Clark

291

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Physical Chemistry

Working Paper

Uranyl Speciation in the Presence of Specific Ion Gradients at the Electrolyte/Organic Interface

Nitesh Kumar, Michael J. Servis, Aurora Clark

198

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Energy

Working Paper

Unexpected Inverse Correlations and Cooperativity in Ion-pair Phase Transfer

Nitesh Kumar, Aurora Clark

220

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Physical Chemistry

Working Paper

Interfacial Heterogeneity is Essential to Water Extraction into Organic Solvents

Michael Servis, Aurora Clark

465

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Organic Chemistry

Working Paper

Ensemble Effects of Explicit Solvation on Allylic Oxidation

Hung Le, Mariano Guagliardo, Anne Gorden, Aurora Clark

307

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Theoretical and Computational Chemistry

Review

Modulating Aggregation in Microemulsions: The Dispersion by Competitive Interaction Model

Biswajit Sadhu, Aurora Clark

133

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23 results in Aurora Clark in Authors: Aurora Clark

The Role of Surfactant Force Field on the Properties of Liquid/Liquid Interfaces

Rethinking the Magnetic Properties of Lepidocrocite: A Density Functional Theory and Cluster Expansion Study

Competitive Interactions at Electrolyte/Octanol Interfaces - A Molecular Perspective

Reimagining Third Phase Formation as the Miscibility Gap of a Molecular Solution

Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics

Uranyl Speciation in the Presence of Specific Ion Gradients at the Electrolyte/Organic Interface

Unexpected Inverse Correlations and Cooperativity in Ion-pair Phase Transfer

Interfacial Heterogeneity is Essential to Water Extraction into Organic Solvents

Ensemble Effects of Explicit Solvation on Allylic Oxidation

Modulating Aggregation in Microemulsions: The Dispersion by Competitive Interaction Model

23 results in Authors: Aurora Clark