List of works - Yun-Fang Yang

Cage-Walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane

scientific article

Computational Exploration of Chiral Iron Porphyrin-Catalyzed Asymmetric Hydroxylation of Ethylbenzene Where Stereoselectivity Arises from π-π Stacking Interaction

scientific article published on 23 October 2019

Computational Exploration of Concerted and Zwitterionic Mechanisms of Diels-Alder Reactions between 1,2,3-Triazines and Enamines and Acceleration by Hydrogen-Bonding Solvents.

scientific article

Computational Exploration of a Pd(II)-Catalyzed γ-C-H Arylation where Stereoselectivity Arises from Attractive Aryl-Aryl Interactions

Computational Studies on the Mechanism and Origin of the Different Regioselectivities of Manganese Porphyrin-Catalyzed C-H Bond Hydroxylation and Amidation of Equilenin Acetate

scientific article published on 23 November 2020

Computational exploration of Pd-catalyzed C-H bond activation reactions

Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds

scientific article published on 22 July 2015

Enzymatic hydroxylation of an unactivated methylene C-H bond guided by molecular dynamics simulations

scientific article published on 29 June 2015

Experimental-Computational Synergy for Selective Pd(II)-Catalyzed C-H Activation of Aryl and Alkyl Groups

scientific article

Ionic and Neutral Mechanisms for C-H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium tert-Butoxide.

scientific article published on 2 May 2017

Mechanism and stereoselectivity of benzylic C-H hydroxylation by Ru-porphyrin: a computational study

scientific article published on 01 January 2020

Mechanism, Regio-, and Diastereoselectivity of Rh(III)-Catalyzed Cyclization Reactions of N-Arylnitrones with Alkynes: A Density Functional Theory Study

scientific article published on 10 May 2017

Multiple roles of silver salts in palladium-catalyzed C–H activations

Palladium-Catalyzed Suzuki-Miyaura Coupling of Aryl Esters

scientific article published on 21 December 2016

Palladium-catalyzed meta-selective C-H bond activation with a nitrile-containing template: computational study on mechanism and origins of selectivity

scientific article

Potassium tert-Butoxide-Catalyzed Dehydrogenative C-H Silylation of Heteroaromatics: A Combined Experimental and Computational Mechanistic Study.

scientific article published on 12 April 2017

Rh(iii)-catalyzed, hydrazine-directed C-H functionalization with 1-alkynylcyclobutanols: a new strategy for 1H-indazoles

scientific article published on 02 June 2020

The Origins of Dramatic Differences in Five-Membered vs Six-Membered Chelation of Pd(II) on Efficiency of C(sp3)-H Bond Activation.

scientific article published on 3 June 2017

Understanding the structures and aromaticity of heteroporphyrins with computations

scientific article published on 28 May 2020

List of works by Yun-Fang Yang

Cage-Walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane

Computational Exploration of Chiral Iron Porphyrin-Catalyzed Asymmetric Hydroxylation of Ethylbenzene Where Stereoselectivity Arises from π-π Stacking Interaction

Computational Exploration of Concerted and Zwitterionic Mechanisms of Diels-Alder Reactions between 1,2,3-Triazines and Enamines and Acceleration by Hydrogen-Bonding Solvents.

Computational Exploration of a Pd(II)-Catalyzed γ-C-H Arylation where Stereoselectivity Arises from Attractive Aryl-Aryl Interactions

Computational Studies on the Mechanism and Origin of the Different Regioselectivities of Manganese Porphyrin-Catalyzed C-H Bond Hydroxylation and Amidation of Equilenin Acetate

Computational exploration of Pd-catalyzed C-H bond activation reactions

Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds

Enzymatic hydroxylation of an unactivated methylene C-H bond guided by molecular dynamics simulations

Experimental-Computational Synergy for Selective Pd(II)-Catalyzed C-H Activation of Aryl and Alkyl Groups

Ionic and Neutral Mechanisms for C-H Bond Silylation of Aromatic Heterocycles Catalyzed by Potassium tert-Butoxide.

Mechanism and stereoselectivity of benzylic C-H hydroxylation by Ru-porphyrin: a computational study

Mechanism, Regio-, and Diastereoselectivity of Rh(III)-Catalyzed Cyclization Reactions of N-Arylnitrones with Alkynes: A Density Functional Theory Study

Multiple roles of silver salts in palladium-catalyzed C–H activations

Palladium-Catalyzed Suzuki-Miyaura Coupling of Aryl Esters

Palladium-catalyzed meta-selective C-H bond activation with a nitrile-containing template: computational study on mechanism and origins of selectivity

Potassium tert-Butoxide-Catalyzed Dehydrogenative C-H Silylation of Heteroaromatics: A Combined Experimental and Computational Mechanistic Study.

Rh(iii)-catalyzed, hydrazine-directed C-H functionalization with 1-alkynylcyclobutanols: a new strategy for 1H-indazoles

The Origins of Dramatic Differences in Five-Membered vs Six-Membered Chelation of Pd(II) on Efficiency of C(sp3)-H Bond Activation.

Understanding the structures and aromaticity of heteroporphyrins with computations