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A computational study of solution equilibria of platinum-based ethylene hydroamination catalytic species including solvation and counterion effects: Proper treatment of the free energy of solvation☆

机译：铂基乙烯水胆碱催化物质溶液平衡的计算研究，包括溶剂化和反压缩效应：适当处理溶剂的自由能☆

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Pavel A. Dub; Rinaldo Poli;
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1. Lithium ion solvation by ethylene carbonates in lithium-ion battery electrolytes, revisited by density functional theory with the hybrid solvation model and free energy correction in solution [J] . Cui Wei, Lansac Yves, Lee Hochun, Physical chemistry chemical physics: PCCP . 2016,第34期

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2. Evidence for the Blue 10pi S_6~(2+)Dication in Solutions of S_8(AsF_6)2:A Computational Study Including Solvation Energies [J] . Ingo Krossing, Jack Passmore Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2004,第3期

机译：S_8（AsF_6）2溶液中蓝色10pi S_6〜（2+）阳离子的证据：包括溶剂化能的计算研究
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6. A Simple Method for Including Polarization Effectsin Solvation Free Energy Calculations When Using Fixed-Charge ForceFields: Alchemically Polarized Charges [O] . Braden D. Kelly, William R. Smith 2020

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7. Evidence for the Blue 10pi S62+ Dication in Solutions of S8(AsF6)2: A Computational Study Including Solvation Energies. [O] . -1

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A computational study of solution equilibria of platinum-based ethylene hydroamination catalytic species including solvation and counterion effects: Proper treatment of the free energy of solvation☆

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