A Polarizable QM/MM Explicit Solvent Model for Computational Electrochemistry in Water

by Wang, Lee-Ping, Voorhis, Troy Van
Published 2013

Direct-Coupling O₂ Bond Forming Pathway in Cobalt Oxide Water Oxidation Catalysts

by Wang, Lee-Ping, Van Voorhis, Troy
Published 2012

Hybrid Ensembles for Improved Force Matching

by Wang, Lee-Ping, Van Voorhis, Troy
Published 2012

On the Acid-Base Mechanism for Ruthenium Water Oxidation Catalysts

by Wang, Lee-Ping, Wu, Qin, Van Voorhis, Troy
Published 2012

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
Published 2012

Simulation of Solution Phase Electron Transfer in a Compact Donor-Acceptor Dyad

by Kowalczyk, Timothy Daniel, Wang, Lee-Ping, Van Voorhis, Troy
Published 2012

A pathway to diphosphorus from the dissociation of photoexcited tetraphosphorus

by Wang, Lee-Ping, Tofan, Daniel, Chen, Jiahao, Van Voorhis, Troy, Cummins, Christopher C.
Published 2014

Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations

by Difley, Seth, Wang, Lee-Ping, Yeganeh, Sina, Yost, Shane Robert, Van Voorhis, Troy
Published 2012

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
Published 2012