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Creators/Authors contains: "Yang, Tzuhsiung"

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Reversible O–O Bond Scission and O ₂ Evolution at MOF-Supported Tetramanganese Clusters

https://doi.org/10.1021/jacs.3c05374

He, Xin; Iliescu, Andrei; Yang, Tzuhsiung; Arguilla, Maxx Q; Chen, Tianyang; Kulik, Heather J; Dincă, Mircea (August 2023, Journal of the American Chemical Society)

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Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

https://doi.org/10.1021/acs.jpca.0c01458

Taylor, Michael G.; Yang, Tzuhsiung; Lin, Sean; Nandy, Aditya; Janet, Jon Paul; Duan, Chenru; Kulik, Heather J. (April 2020, The Journal of Physical Chemistry A)

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Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis

https://doi.org/10.3389/fchem.2019.00219

Liu, Fang; Yang, Tzuhsiung; Yang, Jing; Xu, Eve; Bajaj, Akash; Kulik, Heather J. (April 2019, Frontiers in Chemistry)

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Numerical Nuclear Second Derivatives on a Computing Grid: Enabling and Accelerating Frequency Calculations on Complex Molecular Systems

https://doi.org/10.1021/acs.jctc.8b00120

Yang, Tzuhsiung; Berry, John F. (May 2018, Journal of Chemical Theory and Computation)

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Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth–Rhodium- and Dirhodium-Catalyzed Carbene Chemistry

https://doi.org/10.1021/acscatal.8b03054

Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. (September 2018, ACS Catalysis)

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Inverting Steric Effects: Using “Attractive” Noncovalent Interactions To Direct Silver-Catalyzed Nitrene Transfer

https://doi.org/10.1021/jacs.7b07619

Huang, Minxue; Yang, Tzuhsiung; Paretsky, Jonathan D.; Berry, John F.; Schomaker, Jennifer M. (November 2017, Journal of the American Chemical Society)

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Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

https://doi.org/10.1021/acs.inorgchem.9b00109

Janet, Jon Paul; Liu, Fang; Nandy, Aditya; Duan, Chenru; Yang, Tzuhsiung; Lin, Sean; Kulik, Heather J. (March 2019, Inorganic Chemistry)