Nitrogen-doped tungsten carbide nanoarray as an efficient bifunctional electrocatalyst for water splitting in acid von Han, Nana, Yang, Ke R., Lu, Zhiyi, Li, Yingjie, Xu, Wenwen, Gao, Tengfei, Cai, Zhao, Zhang, Ying, Batista, Victor S., Liu, Wen, Sun, Xiaoming

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Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT von Mesa, Camilo A., Francàs, Laia, Yang, Ke R., Garrido-Barros, Pablo, Pastor, Ernest, Ma, Yimeng, Kafizas, Andreas, Rosser, Timothy E., Mayer, Matthew T., Reisner, Erwin, Grätzel, Michael, Batista, Victor S., Durrant, James R.

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Investigating the Role of Copper Oxide in Electrochemical CO2 Reduction in Real Time von Mandal, Lily, Yang, Ke R, Motapothula, Mallikarjuna Rao, Ren, Dan, Lobaccaro, Peter, Patra, Abhijeet, Sherburne, Matthew, Batista, Victor S, Yeo, Boon Siang, Ager, Joel W, Martin, Jens, Venkatesan, T

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Pt nanoclusters on GaN nanowires for solar-asssisted seawater hydrogen evolution von Dong, Wan Jae, Xiao, Yixin, Yang, Ke R., Ye, Zhengwei, Zhou, Peng, Navid, Ishtiaque Ahmed, Batista, Victor S., Mi, Zetian

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Photodissociation Dynamics of Phenol: Multistate Trajectory Simulations including Tunneling von Xu, Xuefei, Zheng, Jingjing, Yang, Ke R, Truhlar, Donald G

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Stable iridium dinuclear heterogeneous catalysts supported on metal-oxide substrate for solar water oxidation von Zhao, Yanyan, Yang, Ke R., Wang, Zechao, Yan, Xingxu, Cao, Sufeng, Ye, Yifan, Dong, Qi, Zhang, Xizi, Thorne, James E., Jin, Lei, Materna, Kelly L., Trimpalis, Antonios, Bai, Hongye, Fakra, Sirine C., Zhong, Xiaoyan, Wang, Peng, Pan, Xiaoqing, Guo, Jinghua, Flytzani-Stephanopoulos, Maria, Brudvig, Gary W., Batista, Victor S., Wang, Dunwei

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Facet-Dependent Photoelectrochemical Performance of TiO2 Nanostructures: An Experimental and Computational Study von Li, Chuanhao, Koenigsmann, Christopher, Ding, Wendu, Rudshteyn, Benjamin, Yang, Ke R, Regan, Kevin P, Konezny, Steven J, Batista, Victor S, Brudvig, Gary W, Schmuttenmaer, Charles A, Kim, Jae-Hong

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Enantioselective Propargylation of Polyols and Desymmetrization of meso 1,2‐Diols by Copper/Borinic Acid Dual Catalysis von Li, Ren‐Zhe, Tang, Hua, Yang, Ke R., Wan, Li‐Qiang, Zhang, Xia, Liu, Jie, Fu, Zhengyan, Niu, Dawen

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In Situ Identification of Reaction Intermediates and Mechanistic Understandings of Methane Oxidation over Hematite: A Combined Experimental and Theoretical Study von He, Yulian, Guo, Facheng, Yang, Ke R, Heinlein, Jake A, Bamonte, Scott M, Fee, Jared J, Hu, Shu, Suib, Steven L, Haller, Gary L, Batista, Victor S, Pfefferle, Lisa D

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Full-dimensional potentials and state couplings and multidimensional tunneling calculations for the photodissociation of phenol von Yang, Ke R., Xu, Xuefei, Zheng, Jingjing, Truhlar, Donald G.

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Facet-Dependent Kinetics and Energetics of Hematite for Solar Water Oxidation Reactions von Li, Wei, Yang, Ke R, Yao, Xiahui, He, Yumin, Dong, Qi, Brudvig, Gary W, Batista, Victor S, Wang, Dunwei

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Antimony Complexes for Electrocatalysis: Activity of a Main‐Group Element in Proton Reduction von Jiang, Jianbing, Materna, Kelly L., Hedström, Svante, Yang, Ke R., Crabtree, Robert H., Batista, Victor S., Brudvig, Gary W.

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Diabatic Molecular Orbitals, Potential Energies, and Potential Energy Surface Couplings by the 4‑fold Way for Photodissociation of Phenol von Xu, Xuefei, Yang, Ke R, Truhlar, Donald G

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Thermodynamics of the S2-to-S3 state transition of the oxygen-evolving complex of photosystem II von Amin, Muhamed, Kaur, Divya, Yang, Ke R, Wang, Jimin, Mohamed, Zainab, Brudvig, Gary W, Gunner, M R, Batista, Victor

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Development of an Enantioselective Synthesis of (−)-Euonyminol von Tomanik, Martin, Xu, Zhi, Guo, Facheng, Wang, Zechun, Yang, Ke R, Batista, Victor S, Herzon, Seth B

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Quantum Mechanical Fragment Methods Based on Partitioning Atoms or Partitioning Coordinates von Wang, Bo, Yang, Ke R, Xu, Xuefei, Isegawa, Miho, Leverentz, Hannah R, Truhlar, Donald G

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End-On Bound Iridium Dinuclear Heterogeneous Catalysts on WO3 for Solar Water Oxidation von Zhao, Yanyan, Yan, Xingxu, Yang, Ke R, Cao, Sufeng, Dong, Qi, Thorne, James E, Materna, Kelly L, Zhu, Shasha, Pan, Xiaoqing, Flytzani-Stephanopoulos, Maria, Brudvig, Gary W, Batista, Victor S, Wang, Dunwei

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Global ab initio ground-state potential energy surface of N4 von Paukku, Yuliya, Yang, Ke R, Varga, Zoltan, Truhlar, Donald G

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Mechanistic Insights into Surface Chemical Interactions between Lithium Polysulfides and Transition Metal Oxides von Zhong, Yiren, Yang, Ke R, Liu, Wen, He, Peng, Batista, Victor, Wang, Hailiang

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Understanding the Separation Mechanism of C2H6/C2H4 on Zeolitic Imidazolate Framework ZIF‑7 by Periodic DFT Investigations von Zhang, Zeyun, Yang, Ke R, Xu, Xuefei

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