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Theoretical and Computational Chemistry

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Large-scale screening of materials

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Theoretical and Computational Chemistry

CaTS: Toward Scalable and Efficient Transition State Screening for Catalyst Discovery

Jun Yin, Wentao Li, Honghao Chen, Jiangjie Qiu, Huasheng Feng, Xiangya Xu, Qiuyan Jin, Xiaonan Wang

Version 1 posted 12 June 2025

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