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Quantum chemical calculation results of the formation and hydrogenolytic defluorination of perfluoro(From Perfluoro Gem-diol Hydration to Electrocatalytic Removal of CF3 at Room Temperature)

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DataCite Commons2025-08-01 更新2026-05-05 收录
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资源简介:
Song Changping's writing: Supporting materials for the quantum chemistry calculation section of "Sustainable Defibrillation Pathway: From Perfluororo Gem diesel Hydration to Electrocatalytic Removal of CF3 at Room Temperature", including electrostatic potential, bond order, transition state analysis, single point energy, chemical reaction energy barrier calculation, etc.
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Science Data Bank
创建时间:
2025-05-21
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