Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides von Schilter, David, Camara, James M, Huynh, Mioy T, Hammes-Schiffer, Sharon, Rauchfuss, Thomas B

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Quinone 1 e– and 2 e–/2 H+ Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships von Huynh, Mioy T, Anson, Colin W, Cavell, Andrew C, Stahl, Shannon S, Hammes-Schiffer, Sharon

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Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides von Ulloa, Olbelina A, Huynh, Mioy T, Richers, Casseday P, Bertke, Jeffery A, Nilges, Mark J, Hammes-Schiffer, Sharon, Rauchfuss, Thomas B

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Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site von Chambers, Geoffrey M, Huynh, Mioy T, Li, Yulong, Hammes-Schiffer, Sharon, Rauchfuss, Thomas B, Reijerse, Edward, Lubitz, Wolfgang

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Proton-Coupled Electron Transfer Drives Long-Range Proton Translocation in Bioinspired Systems von Odella, Emmanuel, Wadsworth, Brian L, Mora, S. Jimena, Goings, Joshua J, Huynh, Mioy T, Gust, Devens, Moore, Thomas A, Moore, Gary F, Hammes-Schiffer, Sharon, Moore, Ana L

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Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays von Odella, Emmanuel, Mora, S. Jimena, Wadsworth, Brian L, Huynh, Mioy T, Goings, Joshua J, Liddell, Paul A, Groy, Thomas L, Gervaldo, Miguel, Sereno, Leónides E, Gust, Devens, Moore, Thomas A, Moore, Gary F, Hammes-Schiffer, Sharon, Moore, Ana L

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Interplay between Terminal and Bridging Diiron Hydrides in Neutral and Oxidized States von Yu, Xin, Tung, Chen-Ho, Wang, Wenguang, Huynh, Mioy T, Gray, Danielle L, Hammes-Schiffer, Sharon, Rauchfuss, Thomas B

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Protonation of Nickel–Iron Hydrogenase Models Proceeds after Isomerization at Nickel von Huynh, Mioy T, Schilter, David, Hammes-Schiffer, Sharon, Rauchfuss, Thomas B

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Computational Investigation of [FeFe]-Hydrogenase Models: Characterization of Singly and Doubly Protonated Intermediates and Mechanistic Insights von Huynh, Mioy T, Wang, Wenguang, Rauchfuss, Thomas B, Hammes-Schiffer, Sharon

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Concerted One-Electron Two-Proton Transfer Processes in Models Inspired by the Tyr-His Couple of Photosystem II von Huynh, Mioy T, Mora, S. Jimena, Villalba, Matias, Tejeda-Ferrari, Marely E, Liddell, Paul A, Cherry, Brian R, Teillout, Anne-Lucie, Machan, Charles W, Kubiak, Clifford P, Gust, Devens, Moore, Thomas A, Hammes-Schiffer, Sharon, Moore, Ana L

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Mechanism of H 2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides von Ulloa, Olbelina A., Huynh, Mioy T., Richers, Casseday P., Bertke, Jeffery A., Nilges, Mark J., Hammes-Schiffer, Sharon, Rauchfuss, Thomas B.

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Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin‐polarized DFTB3 model von Vujović, Milena, Huynh, Mioy, Steiner, Sebastian, Garcia‐Fernandez, Pablo, Elstner, Marcus, Cui, Qiang, Gruden, Maja

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Quinone 1 e– and 2 e–/2 H+ Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships von Huynh, Mioy T., Anson, Colin W., Cavell, Andrew C., Stahl, Shannon S., Hammes-Schiffer, Sharon

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Models of the Ni-L and Ni-SI a States of the [NiFe]-Hydrogenase Active Site von Chambers, Geoffrey M., Huynh, Mioy T., Li, Yulong, Hammes-Schiffer, Sharon, Rauchfuss, Thomas B., Reijerse, Edward, Lubitz, Wolfgang

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Persistent Covalency and Planarity in the B n Al 6– n 2– and LiB n Al 6– n – ( n = 0–6) Cluster Ions von Huynh, Mioy T., Alexandrova, Anastassia N.

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Selected AB42−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn42 von Alexandrova, Anastassia N., Nayhouse, Michael J., Huynh, Mioy T., Kuo, Jonathan L., Melkonian, Arek V., Chavez, Gerardo, Hernando, Nina M., Kowal, Matthew D., Liu, Chi-Ping

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Selected AB42−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn42−/−Electronic supplementary informati... von Alexandrova, Anastassia N, Nayhouse, Michael J, Huynh, Mioy T, Kuo, Jonathan L, Melkonian, Arek V, Chavez, Gerardo, Hernando, Nina M, Kowal, Matthew D, Liu, Chi-Ping

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Selected AB sub(4) super(2-/-) (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn sub(4) super(2-/-) von Alexandrova, Anastassia N, Nayhouse, Michael J, Huynh, Mioy T, Kuo, Jonathan L, Melkonian, Arek V, Chavez, Gerardo, Hernando, Nina M, Kowal, Matthew D, Liu, Chi-Ping

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Selected AB4 2−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn4 2 von Alexandrova, Anastassia N., Nayhouse, Michael J., Huynh, Mioy T., Kuo, Jonathan L., Melkonian, Arek V., Chavez, Gerardo, Hernando, Nina M., Kowal, Matthew D., Liu, Chi-Ping

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Selected AB42―/― (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn4 von ALEXANDROVA, Anastassia N, NAYHOUSE, Michael J, HUYNH, Mioy T, KUO, Jonathan L, MELKONIAN, Arek V, CHAVEZ, Gerardo, HERNANDO, Nina M, KOWAL, Matthew D, LIU, Chi-Ping

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