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The Journal of Physical Chemistry. A|January 27, 2006
Insight into selected reactions in low-temperature dimethyl ether combustion from Born-Oppenheimer molecular dynamicsAmity Andersen, Emily A CarterJournal of Chemical Theory and Computation|December 22, 2018
Subspace Density Matrix Functional Embedding Theory: Theory, Implementation, and Applications to Molecular SystemsXing Zhang, Emily A CarterThe Journal of Physical Chemistry. B|February 26, 2020
Oxidation State of GaP Photoelectrode Surfaces under Electrochemical Conditions for Photocatalytic CO2 ReductionShenzhen Xu, Emily A CarterChemical Society Reviews|November 1, 2012
New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxidesPeilin Liao, Emily A CarterPhysical Chemistry Chemical Physics : PCCP|November 29, 2008
Transferable local pseudopotentials for magnesium, aluminum and siliconChen Huang, Emily A CarterProceedings of the National Academy of Sciences of the United States of America|October 30, 2019
Optimal functionalization of a molecular electrocatalyst for hydride transferShenzhen Xu, Emily A CarterPhysical Chemistry Chemical Physics : PCCP|July 16, 2011
Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (α-Fe2O3) as a benchmarkPeilin Liao, Emily A CarterJournal of the American Chemical Society|June 1, 2019
Balancing Competing Reactions in Hydride Transfer Catalysis via Catalyst Surface Doping: The Ionization Energy DescriptorShenzhen Xu, Emily A CarterAnnual Review of Physical Chemistry|November 23, 2007
Advances in correlated electronic structure methods for solids, surfaces, and nanostructuresPatrick Huang, Emily A CarterNano Letters|March 25, 2008
Ab initio explanation of tunneling line shapes for the kondo impurity statePatrick Huang, Emily A CarterPageof 16