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Journal of the American Chemical Society|April 5, 2024
Electrochemical Reduction of Perfluorooctanoic Acid (PFOA): An Experimental and Theoretical ApproachJonathan J Calvillo Solís, Christian Sandoval-Pauker, David Bai, et al.Journal of the American Chemical Society|March 8, 2017
Excited-State N2 Dissociation Pathway on Fe-Functionalized AuJohn Mark P Martirez, Emily A CarterJournal of the American Chemical Society|February 12, 2026
C-C Bond Formation during Electrochemical CO2 Reduction on Pristine Cu(100) Unlikely to Involve Adsorbed CO at Any PotentialJohn Mark P Martirez, Emily A CarterScience Advances|January 2, 2018
Prediction of a low-temperature N2 dissociation catalyst exploiting near-IR-to-visible light nanoplasmonicsJohn Mark P Martirez, Emily A CarterThe Journal of Chemical Physics|August 12, 2004
First principles resonance widths for Li near an Al(001) surface: predictions of scattered ion neutralization probabilitiesKeith Niedfeldt, Emily A Carter, P NordlanderACS Nano|February 3, 2016
Thermodynamic Constraints in Using AuM (M = Fe, Co, Ni, and Mo) Alloys as N₂ Dissociation Catalysts: Functionalizing a Plasmon-Active MetalJohn Mark P Martirez, Emily A CarterJournal of the American Chemical Society|June 5, 2023
Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in WaterJohn Mark P Martirez, Emily A CarterAccounts of Chemical Research|May 31, 2014
Embedded correlated wavefunction schemes: theory and applicationsFlorian Libisch, Chen Huang, Emily A CarterNano Letters|March 9, 2006
A nanoscale mechanism of fatigue in ionic solidsEmily A A Jarvis, Emily A CarterJournal of Chemical Theory and Computation|June 7, 2021
Projector-Free Capped-Fragment Scheme within Density Functional Embedding Theory for Covalent and Ionic CompoundsJohn Mark P Martirez, Emily A CarterPageof 21