MTH
13. E. Odella,* B. L. Wadsworth,* S. Jimena Mora,* J. J. Goings,* M. T. Huynh, D. Gust, T. A. Moore, S. Hammes-Schiffer, and A. L. Moore, J. Am. Chem. Soc. 141, 14057-14061 (2019).
"Proton-Coupled Electron Transfer Drives Long-Range Proton Translocation in Bioinspired Systems"
Designed supplemental front cover (click on picture to expand)
DOI: 10.1021/jacs.9b06978
12. M. Vujović,* M. T. Huynh,* S. Steiner,* P. Garcia-Fernandez, M. Elstner, Q. Cui, and M. Gruden, J. Comput. Chem. 40, 400-413 (2019).
"Exploring the Applicability of Density Functional Tight Binding to Transition Metal Ions. Parameterization for Nickel with the Spin-Polarized DFTB3 Model"
Memorial Festschrift for Keiji Morokuma
DOI: 10.1002/jcc.25614
11. E. Odella,* S. Jimena Mora,* B. L. Wadsworth,* M. T. Huynh,* J. J. Goings, P. A. Liddell, T. L. Groy, M. Gervaldo, L. E. Sereno, D. Gust, T. A. Moore, S. Hammes-Schiffer, and A. L. Moore, J. Am. Chem. Soc. 140, 15450-15460 (2018).
"Controlling Proton-Coupled Electron Transfer in Bio-Inspired Artificial Photosynthetic Relays"
DOI: 10.1021/jacs.8b09724
10. X. Yu, C.-H. Tung, W. Wang, M. T. Huynh, S. Hammes-Schiffer, and T. B. Rauchfuss, Organometallics 36, 2245-2253 (2017).
"Interplay between Terminal and Bridging Diiron Hydrides in Neutral and Oxidized States"
DOI: 10.1021/acs.organomet.7b00297
9. M. T. Huynh,* S. J. Mora,* M. Villalba, M. E. Tejeda-Ferrari, P. A. Liddell, B. R. Cherry, A.-L. Teillout, C. W. Machan, S. A. Chabolla, C. P. Kubiak, D. Gust, T. A. Moore, S. Hammes-Schiffer, and A. L. Moore, ACS Cent. Sci. 3, 372-380 (2017).
"Concerted One-Electron Two-Proton Transfer Processes in Models Inspired by the Tyr-His Couple in Photosystem II"
Designed front cover (click on picture to expand)
DOI: 10.1021/acscentsci.7b00125
8. M. T. Huynh, C. W. Anson, A. C. Cavell, S. S. Stahl, AND S. Hammes-Schiffer, J. Am. Chem. Soc. 138, 15903-15910 (2016).
"Quinone 1 e- and 2 e-/2 H+ Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships"
DOI: 10.1021/jacs.6b05797
7. O. Ulloa,* M. T. Huynh,* C. P. Richers,* J. A. Bertke, M. J. Nilges, S. Hammes-Schiffer, and T. B. Rauchfuss, J. Am. Chem. Soc. 138, 9234-9245 (2016).
"Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides"
Highlighted in JACS Spotlight
DOI: 10.1021/jacs.6b04579
6. D. Schilter, J. M. Camara, M. T. Huynh, S. Hammes-Schiffer, and T. B. Rauchfuss, Chem. Rev. 116, 8693-8749 (2016).
"Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides"
Special Issue: Metal Hydrides
Featured on Front Cover
DOI: 10.1021/acs.chemrev.6b00180
5. G. M. Chambers, M. T. Huynh, Y. Li, S. Hammes-Schiffer, T. B. Rauchfuss, E. Reijerse, and W. Lubitz, Inorg. Chem. 55, 419-431 (2016).
"Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site"
Forum Article on Small Molecule Activation: From Biological Principles to Energy Applications Part 3
DOI: 10.1021/acs.inorgchem.5b01662
4. M. T. Huynh, W. Wang, T. B. Rauchfuss, and S. Hammes-Schiffer, Inorg. Chem. 53, 10301-10311 (2014).
"Computational Investigation of [FeFe]-Hydrogenase Models: Characterization of Singly and Doubly Protonated Intermediates and Mechanistic Insights"
DOI: 10.1021/ic5013523
3. M. T. Huynh,* D. Schilter,* S. Hammes-Schiffer, and T. B. Rauchfuss, J. Am. Chem. Soc. 136, 12385-12395 (2014).
"Protonation of Nickel-Iron Hydrogenase Models Proceeds after Isomerization at Nickel"
ACS AuthorChoice open access article (PDF).
DOI: 10.1021/ja505783z
2. A. N. Alexandrova, M. J. Nayhouse,* M. T. Huynh,* J. L. Kuo, A. V. Melkonian, G. de J. Chavez, N. M. Hernando, M. D. Kowal, and C.-P. Liu, Phys. Chem. Chem. Phys. 14, 14815-14821 (2012).
"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–/–"
Featured on inside back cover.
Highlighted in UCLA Newsroom article.
DOI: 10.1039/c2cp41821e
1. M. T. Huynh and A. N. Alexandrova, J. Phys. Chem. Lett. 2, 2046-2051 (2011).
"Persistent Covalency and Planarity in the BnAl6–n2– and LiBnAl6-n– (n=0–6) Cluster Ions"
DOI: 10.1021/jz200865u
* = equal contributions
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