Competitive Interactions at Electrolyte/Octanol Interfaces: A Molecular Perspective
Kumar, Nitesh, Servis, Michael J, Liu, Zhu, Clark, Aurora E
Published in Journal of physical chemistry. C (21.05.2020)
Published in Journal of physical chemistry. C (21.05.2020)
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Journal Article
An Efficient Reactive Force Field without Explicit Coordination Dependence for Studying Caustic Aluminum Chemistry
Pouvreau, Maxime, Guo, Qing, Wang, Hsiu-Wen, Schenter, Gregory K., Pearce, Carolyn I., Clark, Aurora E., Rosso, Kevin M.
Published in The journal of physical chemistry letters (03.08.2023)
Published in The journal of physical chemistry letters (03.08.2023)
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Journal Article
Applications of Polarizable Continuum Models To Determine Accurate Solution-Phase Thermochemical Values Across a Broad Range of Cation Charge – The Case of U(III–VI)
Parmar, Payal, Samuels, Alex, Clark, Aurora E
Published in Journal of chemical theory and computation (13.01.2015)
Published in Journal of chemical theory and computation (13.01.2015)
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Journal Article
Mechanisms of Water Oxidation Catalyzed by Ruthenium Diimine Complexes
Hurst, James K, Cape, Jonathan L, Clark, Aurora E, Das, Samir, Qin, Changyong
Published in Inorganic chemistry (17.03.2008)
Published in Inorganic chemistry (17.03.2008)
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Journal Article
The Middle Science: Traversing Scale In Complex Many-Body Systems
Clark, Aurora E, Adams, Henry, Hernandez, Rigoberto, Krylov, Anna I, Niklasson, Anders M. N, Sarupria, Sapna, Wang, Yusu, Wild, Stefan M, Yang, Qian
Published in ACS central science (25.08.2021)
Published in ACS central science (25.08.2021)
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Journal Article
Integrated Computational and Experimental Protocol for Understanding Rh(III) Speciation in Hydrochloric and Nitric Acid Solutions
Samuels, Alex C, Boele, Cherilynn A, Bennett, Kevin T, Clark, Sue B, Wall, Nathalie A, Clark, Aurora E
Published in Inorganic chemistry (01.12.2014)
Published in Inorganic chemistry (01.12.2014)
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Journal Article
Adsorbate Organization Characterized by Sublevelset Persistent Homology
Kumar, Nitesh, Clark, Aurora E.
Published in Journal of chemical theory and computation (13.06.2023)
Published in Journal of chemical theory and computation (13.06.2023)
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Journal Article
Analysis of wave functions for open-shell molecules
Davidson, Ernest R, Clark, Aurora E
Published in Physical chemistry chemical physics : PCCP (01.01.2007)
Published in Physical chemistry chemical physics : PCCP (01.01.2007)
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