Supplementary Material for Magnetic Co-tip Control of Quantum States in a Triple-Decker Sandwich Molecule: Mechanistic Insights from DFT/HEOM Simulations

https://doi.org/10.60893/figshare.jcp.30490880

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posted on 2025-11-18, 13:07 authored by Xiaoli Wang, Longqing Yang, Ping Wu, Xinru Zhu, Yaqin Tian, Zhen Li, Zhongmin Liu, Yuexing Zhang

Details and discussions on the calculation results of DFT and HEOM

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DOI - Is supplement to <strong>Magnetic Co-tip Control of Quantum States in a Triple-Decker Sandwich Molecule: Mechanistic Insights from DFT/HEOM Simulations</strong>

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Chemical sciences

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Kondo splitting electronic structure magnetic coupling triple-decker complex DFT+HEOM approach

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