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All papers authored by John Mauro

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2024 Yongjian Yang, Yun Kyung Shin, Hideaki Ooe, Urara Hasegawa

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, Setsuko Yamane, Hayata Yamada, Adri C. T. van Duin

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, Yasuhiro Murase, John C. Mauro

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Adsorption of CO₂ by Amine-Functionalized Metal–Organic Frameworks Using GCMC and ReaxFF-Based Metadynamics Simulations

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2023 Yongjian Yang, Yun Kyung Shin, Hideaki Ooe, Xinyang Yin, Xueyi Zhang, Adri C. T. van Duin

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, Yasuhiro Murase, John C. Mauro

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Aqueous Stability of Metal–Organic Frameworks Using ReaxFF-Based Metadynamics Simulations

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2020 Swarit Dwivedi

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, Malgorzata Kowalik, Nilton Rosenbach, Dalal S. Alqarni, Yun Kyung Shin, Yongjian Yang, John C. Mauro

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, Akshat Tanksale

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, Alan L. Chaffee

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, Adri C. T. van Duin

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Atomistic Mechanisms of Thermal Transformation in a Zr-Metal Organic Framework, MIL-140C

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2018 Yongjian Yang, Collin J. Wilkinson, Kuo-Hao Lee, Karan Doss, Thomas D. Bennett

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, Yun Kyung Shin, Adri C. T. van Duin

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, John C. Mauro

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Prediction of the Glass Transition Temperatures of Zeolitic Imidazolate Glasses through Topological Constraint Theory

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Ang Qiao

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, Thomas D. Bennett

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, Andraž Krajnc

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, Cara M. Doherty

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, Aaron W. Thornton

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, John C. Mauro

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, G. Neville Greaves

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, Yuanzheng Yue

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A metal-organic framework with ultrahigh glass-forming ability

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