Theoretical investigation of solar energy conversion and water oxidation catalysis by Wang, Lee-Ping

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Hybrid Ensembles for Improved Force Matching by Wang, Lee-Ping, Van Voorhis, Troy

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Direct-Coupling O₂ Bond Forming Pathway in Cobalt Oxide Water Oxidation Catalysts by Wang, Lee-Ping, Van Voorhis, Troy

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A Polarizable QM/MM Explicit Solvent Model for Computational Electrochemistry in Water by Wang, Lee-Ping, Voorhis, Troy Van

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On the Acid-Base Mechanism for Ruthenium Water Oxidation Catalysts by Wang, Lee-Ping, Wu, Qin, Van Voorhis, Troy

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Simulation of Solution Phase Electron Transfer in a Compact Donor-Acceptor Dyad by Kowalczyk, Timothy Daniel, Wang, Lee-Ping, Van Voorhis, Troy

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Molecular Insight Into the Energy Levels at the Organic Donor/Acceptor Interface: A QM/MM Study by Yost, Shane Robert, Wang, Lee-Ping, Van Voorhis, Troy

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Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations by Difley, Seth, Wang, Lee-Ping, Yeganeh, Sina, Yost, Shane Robert, Van Voorhis, Troy

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A pathway to diphosphorus from the dissociation of photoexcited tetraphosphorus by Wang, Lee-Ping, Tofan, Daniel, Chen, Jiahao, Van Voorhis, Troy, Cummins, Christopher C.

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The diabatic picture of electron transfer, reaction barriers and molecular dynamics by Van Voorhis, Troy, Kowalczyk, Timothy Daniel, Kaduk, Benjamin James, Wang, Lee-Ping, Cheng, Chiao-Lun, Wu, Qin

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