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Physical Chemistry Chemical Physics : PCCP|November 30, 2013
Between a reactant rock and a solvent hard place--molecular corrals guide aromatic substitutionsYan-Mei Chen, Gregory Adam Chass, De-Cai FangThe Journal of Organic Chemistry|July 26, 2013
Pd(OAc)2-catalyzed C-H activation/C-O cyclization: mechanism, role of oxidant-probed by density functional theoryBing Lian, Lei Zhang, Gregory Adam Chass, et al.The Journal of Organic Chemistry|February 20, 2013
Catalytic C-H activation/C-C coupling reaction: DFT studies on the mechanism, solvent effect, and role of additiveLei Zhang, De-Cai FangPhysical Chemistry Chemical Physics : PCCP|June 19, 2014
DFT calculations on kinetic data for some [4+2] reactions in solutionYue Li, De-Cai FangOrganic & Biomolecular Chemistry|June 26, 2015
DFT studies on the directing group dependent arene-alkene cross-couplings: arene activation vs. alkene activationLei Zhang, De-Cai FangThe Journal of Organic Chemistry|July 28, 2016
An Explicit Interpretation of the Directing Group Effect for the Pd(OAc)2-Catalyzed Aromatic C-H ActivationsLei Zhang, De-Cai FangThe Journal of Organic Chemistry|September 23, 2024
Theoretical Study on the Mechanism of Ru(II)-Catalyzed Intermolecular [3 + 2] Annulation between <i>o</i>-Toluic Acid and 3,5-Bis(trifluoromethyl)benzaldehyde: Octahedral vs Trigonal BipyramidalDan-Yang Liu, De-Cai FangThe Journal of Organic Chemistry|September 29, 2023
DFT Studies on the Mechanisms of Carboamination/Diamination of Unactivated Alkenes Mediated by Pd(IV) IntermediatesSi-Cong Liu, De-Cai FangACS Omega|April 6, 2026
A Simplified Treatment of Solvent-Solute Dispersion<sup>†</sup>De-Cai Fang, Dan-Yang LiuThe Journal of Organic Chemistry|May 24, 2003
Theoretical studies on cycloaddition reactions between the 2-aza-1,3-butadiene cation and olefinsYuan-Qing Ding, De-Cai FangPageof 14