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  1. 1
    Pd(OAc)2‑Catalyzed C–H Activation/C–O Cyclization: Mechanism, Role of OxidantProbed by Density Functional Theory

    Pd(OAc)2‑Catalyzed C–H Activation/C–O Cyclization: Mechanism, Role of OxidantProbed by Density Functional Theory von Lian, Bing, Zhang, Lei, Chass, Gregory Adam, Fang, De-Cai

    Veröffentlicht in Journal of organic chemistry

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  2. 2
    Between a reactant rock and a solvent hard place--molecular corrals guide aromatic substitutions

    Between a reactant rock and a solvent hard place--molecular corrals guide aromatic substitutions von Chen, Yan-Mei, Chass, Gregory Adam, Fang, De-Cai


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  3. 3
    Between a reactant rock and a solvent hard place - molecular corrals guide aromatic substitutionsElectronic supplementary information (ESI) available: The DFT-calculated geometries for all stationary points along reactions (a)-(d); total electronic energies and free energies; and frequencies. See DOI: 10.1039/c3cp54079k

    Between a reactant rock and a solvent hard place - molecular corrals guide aromatic substitutionsElectronic supplementary information (ESI) available: The DFT-calculated geometries... von Chen, Yan-Mei, Chass, Gregory Adam, Fang, De-Cai


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  4. 4
    Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals

    Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals von Tao, Jia-Yuan, Mu, Wei-Hua, Chass, Gregory Adam, Tang, Ting-Hua, Fang, De-Cai


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