Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS2 Using Grand Canonical Potential Kinetics von Huang, Yufeng, Nielsen, Robert J, Goddard, William A

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Efficient hydrogen evolution by ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam von Zhou, Haiqing, Yu, Fang, Huang, Yufeng, Sun, Jingying, Zhu, Zhuan, Nielsen, Robert J., He, Ran, Bao, Jiming, Goddard III, William A., Chen, Shuo, Ren, Zhifeng

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Brønsted basicity of the air–water interface von Mishra, Himanshu, Enami, Shinichi, Nielsen, Robert J, Stewart, Logan A, Hoffmann, Michael R, Goddard, William A, Colussi, Agustín J

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Probing the C–O Bond-Formation Step in Metalloporphyrin-Catalyzed C–H Oxygenation Reactions von Liu, Wei, Cheng, Mu-Jeng, Nielsen, Robert J, Goddard, William A, Groves, John T

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A Mn Bipyrimidine Catalyst Predicted To Reduce CO2 at Lower Overpotential von Lam, Yan Choi, Nielsen, Robert J, Gray, Harry B, Goddard, William A

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Catalytic Synthesis of Superlinear Alkenyl Arenes Using a Rh(I) Catalyst Supported by a “Capping Arene” Ligand: Access to Aerobic Catalysis von Chen, Junqi, Nielsen, Robert J, Goddard, William A, McKeown, Bradley A, Dickie, Diane A, Gunnoe, T. Brent

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The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO2 (110) Surface von Ping, Yuan, Nielsen, Robert J

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Effects of Lewis Acidic Metal Ions (M) on Oxygen-Atom Transfer Reactivity of Heterometallic Mn3MO4 Cubane and Fe3MO(OH) and Mn3MO(OH) Clusters von Lionetti, Davide, Suseno, Sandy, Tsui, Emily Y, Lu, Luo, Stich, Troy A, Carsch, Kurtis M, Nielsen, Robert J, Goddard, William A, Britt, R. David, Agapie, Theodor

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The Reaction Mechanism of the Enantioselective Tsuji Allylation: Inner-Sphere and Outer-Sphere Pathways, Internal Rearrangements, and Asymmetric C–C Bond Formation von Keith, John A, Behenna, Douglas C, Sherden, Nathaniel, Mohr, Justin T, Ma, Sandy, Marinescu, Smaranda C, Nielsen, Robert J, Oxgaard, Jonas, Stoltz, Brian M, Goddard, William A

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Selectivity for HCO2 – over H2 in the Electrochemical Catalytic Reduction of CO2 by (POCOP)IrH2 von Johnson, Samantha I, Nielsen, Robert J, Goddard, William A

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Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS 2 Using Grand Canonical Potential Kinetics von Huang, Yufeng, Nielsen, Robert J, Goddard, 3rd, William A

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Product Protection, the Key to Developing High Performance Methane Selective Oxidation Catalysts von Ahlquist, Mårten, Nielsen, Robert J, Periana, Roy A, Goddard III, William A

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Anions dramatically enhance proton transfer through aqueous interfaces von Mishra, Himanshu, Enami, Shinichi, Nielsen, Robert J, Hoffmann, Michael R, Goddard, William A, Colussi, Agustín J

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Mechanistic Analysis of Iridium Heteroatom C−H Activation:  Evidence for an Internal Electrophilic Substitution Mechanism von Oxgaard, Jonas, Tenn, William J, Nielsen, Robert J, Periana, Roy A, Goddard, William A

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Mechanism of Hydrocarbon Functionalization by an Iodate/Chloride System: The Role of Ester Protection von Schwartz, Nichole A, Boaz, Nicholas C, Kalman, Steven E, Zhuang, Thompson, Goldberg, Jonathan M, Fu, Ross, Nielsen, Robert J, Goddard, William A, Groves, John T, Gunnoe, T. Brent

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Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface von Qian, Jin, An, Qi, Fortunelli, Alessandro, Nielsen, Robert J, Goddard, William A

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The mechanism for catalytic hydrosilylation by bis(imino)pyridine iron olefin complexes supported by broken symmetry density functional theory von Lam, Yan Choi, Nielsen, Robert J, Goddard, William A, Dash, Aswini K

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Stabilizing Highly Active Ru Sites by Suppressing Lattice Oxygen Participation in Acidic Water Oxidation von Wen, Yunzhou, Chen, Peining, Wang, Lu, Li, Shangyu, Wang, Ziyun, Abed, Jehad, Mao, Xinnan, Min, Yimeng, Dinh, Cao Thang, Luna, Phil De, Huang, Rui, Zhang, Longsheng, Wang, Lie, Wang, Liping, Nielsen, Robert J, Li, Huihui, Zhuang, Taotao, Ke, Changchun, Voznyy, Oleksandr, Hu, Yongfeng, Li, Youyong, Goddard III, William A, Zhang, Bo, Peng, Huisheng, Sargent, Edward H

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Oxidative Aliphatic C-H Fluorination with Fluoride Ion Catalyzed by a Manganese Porphyrin von Liu, Wei, Huang, Xiongyi, Cheng, Mu-Jeng, Nielsen, Robert J., Goddard, William A., Groves, John T.

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The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS2 von Huang, Yufeng, Nielsen, Robert J, Goddard, William A, Soriaga, Manuel P

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