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Computational characterization of enzyme-bound thiamin diphosphate reveals a surprisingly stable tricyclic state: implications for catalysis

artículo científico publicado en 2019

Efficient Stereoselective Carbocyclization to cis-1,4-Disubstituted Heterocycles Enabled by Dual Pd/Electron Transfer Mediator (ETM) Catalysis

artículo científico publicado en 2020

Enantioselective Construction of Tertiary Fluoride Stereocenters by Organocatalytic Fluorocyclization

artículo científico publicado en 2020

Enzymatic Pictet-Spengler Reaction: Computational Study of the Mechanism and Enantioselectivity of Norcoclaurine Synthase

scientific article published on 02 July 2019

Esterification of Tertiary Amides: Remarkable Additive Effects of Potassium Alkoxides for Generating Hetero Manganese-Potassium Dinuclear Active Species

artículo científico publicado en 2020

Highly Selective Palladium-Catalyzed Hydroborylative Carbocyclization of Bisallenes to Seven-Membered Rings

artículo científico publicado en 2018

Mechanism and Selectivity of Cooperatively Catalyzed Meyer-Schuster Rearrangement/Tsuji-Trost Allylic Substitution. Evaluation of Synergistic Catalysis by Means of Combined DFT and Kinetics Simulations.

artículo científico publicado en 2017

Mechanism and Stereoselectivity of the BINOL-Catalyzed Allylboration of Skatoles

artículo científico publicado en 2017

Mechanism and Structure of γ-Resorcylate Decarboxylase.

artículo científico publicado en 2017

Mechanisms of Formation and Rearrangement of Benziodoxole-Based CF3 and SCF3 Transfer Reagents

artículo científico publicado en 2020

Mechanisms of Rh-Catalyzed Oxyaminofluorination and Oxyaminotrifluoromethylthiolation of Diazocarbonyl Compounds with Electrophilic Reagents

artículo científico publicado en 2018

Mechanistic Elucidation of Zirconium-Catalyzed Direct Amidation

artículo científico publicado en 2017

Modeling Decomposition of N-Nitrosoamides in a Self-Assembled Capsule

scientific article published on 22 May 2019

Origins of Enantiopreference of Mycobacterium smegmatis Acyl Transferase: A Computational Analysis

scientific article published on 21 August 2019

Quantum Chemical Modeling of Cycloaddition Reaction in a Self-Assembled Capsule

artículo científico publicado en 2017

Reaction Mechanism of Human PAICS Elucidated by Quantum Chemical Calculations

artículo científico publicado en 2022

Recent Trends in Quantum Chemical Modeling of Enzymatic Reactions.

artículo científico

Regioselective para-Carboxylation of Catechols by a Prenylated Flavin Dependent Decarboxylase.

artículo científico

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