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Journal of the American Chemical Society|November 7, 2018
Why and How Carbon Dioxide Conversion to Methanol Happens on Functionalized Semiconductor PhotoelectrodesShenzhen Xu, Lesheng Li, Emily A CarterJournal of the American Chemical Society|August 10, 2012
Non-innocent dissociation of H2O on GaP(110): implications for electrochemical reduction of CO2Ana B Muñoz-García, Emily A CarterJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 11, 2011
Origin of tunneling lineshape trends for Kondo states of Co adatoms on coinage metal surfacesSahar Sharifzadeh, Patrick Huang, Emily A CarterJournal of the American Chemical Society|December 14, 2018
Unraveling Oxygen Evolution on Iron-Doped β-Nickel Oxyhydroxide: The Key Role of Highly Active Molecular-like SitesJohn Mark P Martirez, Emily A CarterThe Journal of Physical Chemistry Letters|August 12, 2015
Dissociative Adsorption of O2 on Al(111): The Role of Orientational Degrees of FreedomJin Cheng, Florian Libisch, Emily A CarterThe Journal of Physical Chemistry. A|June 2, 2021
Metal-to-Ligand Charge-Transfer Spectrum of a Ru-Bipyridine-Sensitized TiO2 Cluster from Embedded Multiconfigurational Excited-State TheoryJohn Mark P Martirez, Emily A CarterThe Journal of Chemical Physics|April 26, 2011
Quantum mechanical embedding theory based on a unique embedding potentialChen Huang, Michele Pavone, Emily A CarterThe Journal of Chemical Physics|September 17, 2015
Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect statesKuang Yu, Florian Libisch, Emily A CarterJournal of Chemical Theory and Computation|February 19, 2026
Combining Density Functional Embedding Theory and DMRG-NEVPT2 to Treat Large Active Spaces: Addressing Electronic Structure Complexity in Single-Atom AlloysPhillips Hutchison, Ziyang Wei, Emily A CarterThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|March 18, 2026
Insights into Nonelectroactive C-C Bond Formation on Cu(100) during Electrochemical CO2 Reduction from Multiconfigurational Wavefunction TheoryJohn Mark P Martirez, Emily A CarterPageof 21