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Chaoyi Qian

affiliation not provided to SSRN

  • affiliation not provided to SSRN

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The Red Shift of the Center of the V1 and V3 Modes Characterization of Catalytic Activation of Water

Number of pages: 13 Posted: 10 Sep 2024
Yanbiao Wang, Xinglong Pan, Tingting Liu, Yuqing Yang, Zhiping Wang, Chaoyi Qian and Xiuyun Zhang
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Yangzhou University
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Abstract:

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Water dissociation, First-principles molecular dynamics, Center of the v1 and v3 modes, Frontier orbitals, Catalysis, Resonance absorption