Simple Extrapolation Method To Predict the Electronic Structure of Conjugated Polymers from Calculations on Oligomers von Larsen, Ross E

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Message-passing neural networks for high-throughput polymer screening von St. John, Peter C., Phillips, Caleb, Kemper, Travis W., Wilson, A. Nolan, Guan, Yanfei, Crowley, Michael F., Nimlos, Mark R., Larsen, Ross E.

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Does the Hydrated Electron Occupy a Cavity? von Larsen, Ross E, Glover, William J, Schwartz, Benjamin J

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Relationship between Molecular Structure and Electron Transfer in a Polymeric Nitroxyl-Radical Energy Storage Material von Kemper, Travis W, Larsen, Ross E, Gennett, Thomas

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Molecular Dynamics Simulation Study of Solvent and State of Charge Effects on Solid-Phase Structure and Counterion Binding in a Nitroxide Radical Containing Polymer Energy Storage... von Kemper, Travis W, Gennett, Thomas, Larsen, Ross E

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Mediating Photochemical Reaction Rates at Lewis Acidic Rare Earths by Selective Energy Loss to 4f-Electron States von Ruoff, Kevin P., Gish, Melissa K., Song, Ellen, Douair, Iskander, Pandey, Pragati, Steger, Mark, Johnson, Justin C., Carroll, Patrick J., Gau, Michael, Chang, Christopher H., Larsen, Ross E., Ferguson, Andrew J., Schelter, Eric J.

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Close Packing of Nitroxide Radicals in Stable Organic Radical Polymeric Materials von Bobela, David C, Hughes, Barbara K, Braunecker, Wade A, Kemper, Travis W, Larsen, Ross E, Gennett, Thomas

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Response to Comments on “Does the Hydrated Electron Occupy a Cavity?” von Larsen, Ross E., Glover, William J., Schwartz, Benjamin J.

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Resonance Raman and temperature-dependent electronic absorption spectra of cavity and noncavity models of the hydrated electron von Casey, Jennifer R., Larsen, Ross E., Schwartz, Benjamin J.

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Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer von Pelzer, Kenley M, Vázquez-Mayagoitia, Álvaro, Ratcliff, Laura E, Tretiak, Sergei, Bair, Raymond A, Gray, Stephen K, Van Voorhis, Troy, Larsen, Ross E, Darling, Seth B

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Nature of Sodium Atoms/(Na+, e−) Contact Pairs in Liquid Tetrahydrofuran von Glover, William J, Larsen, Ross E, Schwartz, Benjamin J

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Exploring the Role of Decoherence in Condensed-Phase Nonadiabatic Dynamics:  A Comparison of Different Mixed Quantum/Classical Simulation Algorithms for the Excited Hydrated Electr... von Larsen, Ross E, Bedard-Hearn, Michael J, Schwartz, Benjamin J

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Simulating the Formation of Sodium:Electron Tight-Contact Pairs: Watching the Solvation of Atoms in Liquids One Molecule at a Time von Glover, William J, Larsen, Ross E, Schwartz, Benjamin J

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Controlling Extraction of Rare Earth Elements Using Functionalized Aryl-vinyl Phosphonic Acid Esters von Kuvayskaya, Anastasia, Mallos, Thomas J., Douair, Iskander, Chang, Christopher, Larsen, Ross E., Jensen, Mark P., Sellinger, Alan

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The Structure of the Hydrated Electron. Part 2. A Mixed Quantum/Classical Molecular Dynamics Embedded Cluster Density Functional Theory:  Single−Excitation Configuration Interactio... von Shkrob, Ilya A, Glover, William J, Larsen, Ross E, Schwartz, Benjamin J

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An elasto-plastic solution for channel cracking of brittle coating on polymer substrate von Zhang, Chao, Chen, Fangliang, Gray, Matthew H., Tirawat, Robert, Larsen, Ross E.

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Photoinduced Degradation of Polymer and Polymer-Fullerene Active Layers: Experiment and Theory von Reese, Matthew O., Nardes, Alexandre M., Rupert, Benjamin L., Larsen, Ross E., Olson, Dana C., Lloyd, Matthew T., Shaheen, Sean E., Ginley, David S., Rumbles, Garry, Kopidakis, Nikos

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Density of States and the Role of Energetic Disorder in Charge Transport in an Organic Radical Polymer in the Solid State von Kemper, Travis W, Larsen, Ross E, Gennett, Thomas

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A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory von Smallwood, C. Jay, Larsen, Ross E., Glover, William J., Schwartz, Benjamin J.

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Mean-field dynamics with stochastic decoherence (MF-SD): A new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence von Bedard-Hearn, Michael J., Larsen, Ross E., Schwartz, Benjamin J.

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