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All papers authored by Mingjie Liu

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2024 Haojun Jia, Chenru Duan

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, Ilia Kevlishvili, Aditya Nandy

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, Mingjie Liu

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, Heather J. Kulik

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Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion

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2022 Aditya Nandy

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, Husain Adamji

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, David W. Kastner

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, Vyshnavi Vennelakanti

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, Azadeh Nazemi

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, Mingjie Liu

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, Heather J. Kulik

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Using Computational Chemistry To Reveal Nature’s Blueprints for Single-Site Catalysis of C–H Activation

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Haojun Jia

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, Mingjie Liu

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, Heather J. Kulik

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Modeling the roles of rigidity and dopants in single-atom methane-to-methanol catalysts

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2021 Mingjie Liu

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, Azadeh Nazemi

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, Michael G. Taylor

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, Adam H. Steeves

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, Heather J. Kulik

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Large-Scale Screening Reveals That Geometric Structure Matters More Than Electronic Structure in the Bioinspired Catalyst Design of Formate Dehydrogenase Mimics

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