Atomically dispersed supported metal catalysts: perspectives and suggestions for future research von Gates, Bruce C, Flytzani-Stephanopoulos, Maria, Dixon, David A, Katz, Alexander

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A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures von Feller, David, Peterson, Kirk A, Dixon, David A

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Mechanism by which Tungsten Oxide Promotes the Activity of Supported V2O5/TiO2 Catalysts for NOX Abatement: Structural Effects Revealed by 51V MAS NMR Spectroscopy von Jaegers, Nicholas R., Lai, Jun‐Kun, He, Yang, Walter, Eric, Dixon, David A., Vasiliu, Monica, Chen, Ying, Wang, Chongmin, Hu, Mary Y., Mueller, Karl T., Wachs, Israel E., Wang, Yong, Hu, Jian Zhi

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Prediction of Structures and Atomization Energies of Small Silver Clusters, (Ag) n , n < 100 von Chen, Mingyang, Dyer, Jason E., Li, Keijing, Dixon, David A.

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Tree GrowthHybrid Genetic Algorithm for Predicting the Structure of Small (TiO2) n , n = 2–13, Nanoclusters von Chen, Mingyang, Dixon, David A

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The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes von Liu, Zhiqiang, Ishibashi, Jacob S. A, Darrigan, Clovis, Dargelos, Alain, Chrostowska, Anna, Li, Bo, Vasiliu, Monica, Dixon, David A, Liu, Shih-Yuan

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Machine-Learning Approach for the Development of Structure–Energy Relationships of ZnO Nanoparticles von Chen, Mingyang, Dixon, David A

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Predicting the Energy of the Water Exchange Reaction and Free Energy of Solvation for the Uranyl Ion in Aqueous Solution von Gutowski, Keith E, Dixon, David. A

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Prediction of the pKa's of aqueous metal ion +2 complexes von Jackson, Virgil E, Felmy, Andrew R, Dixon, David A

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Structures and Stabilities of (MgO) n Nanoclusters von Chen, Mingyang, Felmy, Andrew R, Dixon, David A

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Acid Initiation of Ammonia-Borane Dehydrogenation for Hydrogen Storage von Stephens, Frances H., Baker, R. Tom, Matus, Myrna H., Grant, Daniel J., Dixon, David A.

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Late-Stage Functionalization of 1,2-Dihydro-1,2-azaborines via Regioselective Iridium-Catalyzed C–H Borylation: The Development of a New N,N-Bidentate Ligand Scaffold von Baggett, Andrew W, Vasiliu, Monica, Li, Bo, Dixon, David A, Liu, Shih-Yuan

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Computational Study of H2 and O2 Production from Water Splitting by Small (MO2) n Clusters (M = Ti, Zr, Hf) von Fang, Zongtang, Dixon, David A

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Efficient Regeneration of Partially Spent Ammonia Borane Fuel von Davis, Benjamin L., Dixon, David A., Garner, Edward B., Gordon, John C., Matus, Myrna H., Scott, Brian, Stephens, Frances H.

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A Computational Assessment of Actinide Dioxide Cations AnO22+ for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O=An=O]2 von Vasiliu, Monica, Jian, Tian, Gibson, John K., Peterson, Kirk A., Dixon, David A.

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Theoretical and Experimental Study of the Spectroscopy and Thermochemistry of UC+/0 von de Melo, Gabriel F., Vasiliu, Monica, Liu, Gaoxiang, Ciborowski, Sandra, Zhu, Zhaoguo, Blankenhorn, Moritz, Harris, Rachel, Martinez-Martinez, Chalynette, Dipalo, Maria, Peterson, Kirk A., Bowen, Kit H., Dixon, David A.

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Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy:  Molecular Properties from Density Functional Theory Orbital Energies von Zhan, Chang-Guo, Nichols, Jeffrey A, Dixon, David A

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MgO-Supported Iridium Metal Pair-Site Catalysts Are More Active and Resistant to CO Poisoning than Analogous Single-Site Catalysts for Ethylene Hydrogenation and Hydrogen–Deuterium... von Guan, Erjia, Debefve, Louise, Vasiliu, Monica, Zhang, Shengjie, Dixon, David A, Gates, Bruce C

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Substituent Effects on the Properties of Borafluorenes von Smith, Mallory F, Cassidy, S. Joel, Adams, Ian A, Vasiliu, Monica, Gerlach, Deidra L, Dixon, David A, Rupar, Paul A

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Remotely Bonded Bridging Dioxygen Ligands Enhance Hydrogen Transfer in a Silica-Supported Tetrairidium Cluster Catalyst von Palermo, Andrew P., Zhang, Shengjie, Okrut, Alexander, Schöttle, Christian, Grosso-Giordano, Nicolás A., Runnebaum, Ron C., Edwards, Kyle C., Guan, Erjia, Ertler, Daniel, Solovyov, Andrew, Kistler, Joseph D., Aydin, Ceren, Lu, Jing, Busygin, Igor, Dixon, David. A., Gates, Bruce C., Katz, Alexander

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