Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO2 on Copper?
Garza, Alejandro J, Bell, Alexis T, Head-Gordon, Martin
Published in The journal of physical chemistry letters (01.02.2018)
Published in The journal of physical chemistry letters (01.02.2018)
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Journal Article
Optimizing electronic structure simulations on a trapped-ion quantum computer using problem decomposition
Kawashima, Yukio, Lloyd, Erika, Coons, Marc P., Nam, Yunseong, Matsuura, Shunji, Garza, Alejandro J., Johri, Sonika, Huntington, Lee, Senicourt, Valentin, Maksymov, Andrii O., Nguyen, Jason H. V., Kim, Jungsang, Alidoust, Nima, Zaribafiyan, Arman, Yamazaki, Takeshi
Published in Communications physics (18.11.2021)
Published in Communications physics (18.11.2021)
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Journal Article
Predicting Band Gaps with Hybrid Density Functionals
Garza, Alejandro J, Scuseria, Gustavo E
Published in The journal of physical chemistry letters (20.10.2016)
Published in The journal of physical chemistry letters (20.10.2016)
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Journal Article
Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models
Gauthier, Joseph A, Ringe, Stefan, Dickens, Colin F, Garza, Alejandro J, Bell, Alexis T, Head-Gordon, Martin, Nørskov, Jens K, Chan, Karen
Published in ACS catalysis (01.02.2019)
Published in ACS catalysis (01.02.2019)
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Journal Article
Explaining the Incorporation of Oxygen Derived from Solvent Water into the Oxygenated Products of CO Reduction over Cu
Clark, Ezra L, Wong, Jonathan, Garza, Alejandro J, Lin, Zhou, Head-Gordon, Martin, Bell, Alexis T
Published in Journal of the American Chemical Society (13.03.2019)
Published in Journal of the American Chemical Society (13.03.2019)
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Journal Article
Can Short- and Middle-Range Hybrids Describe the Hyperpolarizabilities of Long-Range Charge-Transfer Compounds?
Garza, Alejandro J, Wazzan, Nuha A, Asiri, Abdullah M, Scuseria, Gustavo E
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.2014)
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Journal Article
Heterogenized Pyridine-Substituted Cobalt(II) Phthalocyanine Yields Reduction of CO2 by Tuning the Electron Affinity of the Co Center
De Riccardis, Alberto, Lee, Michelle, Kazantsev, Roman V, Garza, Alejandro J, Zeng, Guosong, Larson, David M, Clark, Ezra L, Lobaccaro, Peter, Burroughs, Paul W. W, Bloise, Ermelinda, Ager, Joel W, Bell, Alexis T, Head-Gordon, Martin, Mele, Giuseppe, Toma, Francesca M
Published in ACS applied materials & interfaces (05.02.2020)
Published in ACS applied materials & interfaces (05.02.2020)
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Journal Article
Assessing combinations of singlet-paired coupled cluster and density functional theory for treating electron correlation in closed and open shells
Gomez, John A., Molla, Mahlet, Garza, Alejandro J., Henderson, Thomas M., Scuseria, Gustavo E.
Published in Molecular physics (16.02.2020)
Published in Molecular physics (16.02.2020)
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Journal Article
A computational study of the nonlinear optical properties of carbazole derivatives: theory refines experiment
Garza, Alejandro J., Osman, Osman Ibrahim, Wazzan, Nuha Ahmed, Khan, Sher Bahadar, Asiri, Abdullah Mohamed, Scuseria, Gustavo E.
Published in Theoretical chemistry accounts (01.04.2014)
Published in Theoretical chemistry accounts (01.04.2014)
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Journal Article