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ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategyNarbe Mardirossian, Martin Head‐Gordon|Physical Chemistry Chemical Physics|2013Cited by 930
Mechanism of CO<sub>2</sub> Reduction at Copper Surfaces: Pathways to C<sub>2</sub> ProductsAlejandro J. Garza, Martin Head‐Gordon|ACS Catalysis|2018Cited by 908
Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO<sub>2</sub>: New Theoretical Insights from an Improved Electrochemical ModelJason D. Goodpaster, Martin Head‐Gordon|The Journal of Physical Chemistry Letters|2016Cited by 679
Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization groupGarnet Kin‐Lic Chan, Martin Head‐Gordon|The Journal of Chemical Physics|2002Cited by 559