List of works - Lung Wa Chung

A DFT study on the mechanism of hydrosilylation of unsaturated compounds with neutral hydrido(hydrosilylene)tungsten complex

scientific article published on 28 December 2007

A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation

scientific article published on 02 January 2019

A theoretical study on the mechanism, regiochemistry, and stereochemistry of hydrosilylation catalyzed by cationic ruthenium complexes

scientific article published in September 2003

A theoretical study on the nature of on- and off-states of reversibly photoswitching fluorescent protein Dronpa: absorption, emission, protonation, and Raman.

scientific article published in January 2010

A theoretical study on the trans-addition intramolecular hydroacylation of 4-alkynals catalyzed by cationic rhodium complexes

scientific article published on 7 March 2008

Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni-Dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor.

scientific article published on 24 November 2016

Asymmetric Total Synthesis of Cerorubenic Acid-III

scientific article published on 07 February 2019

Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution

scientific article published on 01 March 2020

Brønsted-Acid-Promoted Rh-Catalyzed Asymmetric Hydrogenation of N-Unprotected Indoles: A Cocatalysis of Transition Metal and Anion Binding

scientific article published on 30 March 2018

Catalytic asymmetric trifluoromethylthiolation of carbonyl compounds via a diastereo and enantioselective Cu-catalyzed tandem reaction

scientific article published on 01 May 2018

Colorimetric Calcium Probe with Comparison to an Ion-Selective Optode

scientific article published on 03 October 2018

Comparative reactivity of ferric-superoxo and ferryl-oxo species in heme and non-heme complexes

scientific article published on 21 November 2011

Competitive mechanistic pathways for green-to-red photoconversion in the fluorescent protein Kaede: a computational study.

scientific article published on 17 November 2010

Computational Prediction of Excited-State Carbon Tunneling in the Two Steps of Triplet Zimmerman Di-π-Methane Rearrangement

scientific article

Computational Study on the Reaction Mechanism of Hydrosilylation of Carbonyls Catalyzed by High-Valent Rhenium(V)−Di-oxo Complexes

scientific article published on 01 August 2006

Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions

scientific article published on 27 January 2015

Correction to Brønsted-Acid-Promoted Rh-Catalyzed Asymmetric Hydrogenation of N-Unprotected Indoles: A Cocatalysis of Transition Metal and Anion Binding

scientific article published on 09 July 2018

DFT and ONIOM(DFT:MM) studies on Co-C bond cleavage and hydrogen transfer in B12-dependent methylmalonyl-CoA mutase. Stepwise or concerted mechanism?

scientific article published in April 2009

Dearomative indole [5+2] cycloaddition reactions: stereoselective synthesis of highly functionalized cyclohepta[b]indoles

scientific article published on 21 August 2014

Density functional theory study on a missing piece in understanding of heme chemistry: the reaction mechanism for indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase

scientific article

Design and Application of Hybrid Phosphorus Ligands for Enantioselective Rh-Catalyzed Anti-Markovnikov Hydroformylation of Unfunctionalized 1,1-Disubstituted Alkenes.

scientific article published on 30 March 2018

Development of a novel secondary phosphine oxide-ruthenium(ii) catalyst and its application for carbonyl reduction

scientific article published on 22 December 2017

Efficient syntheses of (-)-crinine and (-)-aspidospermidine, and the formal synthesis of (-)-minfiensine by enantioselective intramolecular dearomative cyclization.

scientific article published on 3 July 2017

Enantioselective Rhodium-Catalyzed Cycloisomerization of 1,6-Allenynes to access 5/6-Fused Bicycle[4.3.0]nonadienes

scientific article published on 27 February 2019

Enantioselective palladium-catalyzed diboration of 1,1-disubstituted allenes

scientific article published on 16 May 2017

Enzyme-Inspired Chiral Secondary-Phosphine-Oxide Ligand with Dual Noncovalent Interactions for Asymmetric Hydrogenation.

scientific article

Excited-State Proton Transfer Controls Irreversibility of Photoisomerization in Mononuclear Ruthenium(II) Monoaquo Complexes: A DFT Study

scientific article published on 01 February 2014

Experimental and theoretical studies of the propargyl-allenylindium system

scientific article published in October 2004

Exploiting the trifluoroethyl group as a precatalyst ligand in nickel-catalyzed Suzuki-type alkylations.

scientific article published on 17 April 2019

Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction.

scientific article

Guest-Induced Folding and Self-Assembly of Conformationally Adaptive Macrocycles into Nanosheets and Nanotubes

scientific article published on 21 December 2016

Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes under Mild Conditions

scientific article published on 17 March 2015

Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex.

scientific article

Iridium-Catalyzed Asymmetric Hydrogenation of Ketones with Accessible and Modular Ferrocene-Based Amino-phosphine Acid (f-Ampha) Ligands

scientific article published on 17 January 2017

Ligand-controlled reactivity, selectivity, and mechanism of cationic ruthenium-catalyzed hydrosilylations of alkynes, ketones, and nitriles: a theoretical study

scientific article published on 02 September 2014

Ligand-controlled remarkable regio- and stereodivergence in intermolecular hydrosilylation of internal alkynes: experimental and theoretical studies.

scientific article

Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection

scientific article

Mechanistic studies on the formation of linear polyethylene chain catalyzed by palladium phosphine-sulfonate complexes: experiment and theoretical studies.

scientific article published in October 2009

Multiscale Quantum Refinement Approaches for Metalloproteins

scientific article published on 25 May 2021

New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry.

scientific article published on 7 June 2016

Nickel-catalyzed asymmetric hydrogenation of β-acylamino nitroolefins: an efficient approach to chiral amines.

scientific article published on 4 July 2017

ONIOM study on a missing piece in our understanding of heme chemistry: bacterial tryptophan 2,3-dioxygenase with dual oxidants.

scientific article published on September 2010

Organocatalytic atroposelective synthesis of axially chiral styrenes

scientific article

Pd-catalyzed copolymerization of methyl acrylate with carbon monoxide: structures, properties and mechanistic aspects toward ligand design

scientific article published on 11 April 2011

Photodynamics of All-trans Retinal Protonated Schiff Base in Bacteriorhodopsin and Methanol Solution

scientific article published on 16 August 2011

Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.

scientific article

Reaction Mechanism of Cu(I)-Mediated Reductive CO2 Coupling for the Selective Formation of Oxalate: Cooperative CO2 Reduction To Give Mixed-Valence Cu2(CO2•-) and Nucleophilic-Like Attack

scientific article published on 30 May 2017

Reaction mechanism of photoinduced decarboxylation of the photoactivatable green fluorescent protein: an ONIOM(QM:MM) study

scientific article published on 23 January 2013

Rhodium-catalyzed asymmetric hydrogenation of β-cyanocinnamic esters with the assistance of a single hydrogen bond in a precise position.

scientific article published on 4 January 2018

Ru-Catalyzed Migratory Geminal Semihydrogenation of Internal Alkynes to Terminal Olefins

scientific article published on 17 October 2019

Silicon-oriented regio- and enantioselective rhodium-catalyzed hydroformylation.

scientific article published on 23 May 2018

The ONIOM Method and Its Applications.

scientific article published on 08 April 2015

Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-B by Tryptophan and Dissociation of Homodimer

scientific article published in August 2014

Unusual KIE and dynamics effects in the Fe-catalyzed hetero-Diels-Alder reaction of unactivated aldehydes and dienes

scientific article published on 15 April 2020

Water as a Direct Proton Source for Asymmetric Hydroarylation Catalyzed by a Rh(I)-Diene: Access to Nonproteinogenic β2/γ2/δ2-Amino Acid Derivatives

scientific article published on 29 December 2020

Why did incorporation of acrylonitrile to a linear polyethylene become possible? Comparison of phosphine-sulfonate ligand with diphosphine and imine-phenolate ligands in the Pd-catalyzed ethylene/acrylonitrile copolymerization

scientific article published on 25 October 2010

Zinc-homocysteine binding in cobalamin-dependent methionine synthase and its role in the substrate activation: DFT, ONIOM, and QM/MM molecular dynamics studies

scientific article published on 11 August 2011

List of works by Lung Wa Chung

A DFT study on the mechanism of hydrosilylation of unsaturated compounds with neutral hydrido(hydrosilylene)tungsten complex

A Missing Piece of the Mechanism in Metal-Catalyzed Hydrogenation: Co(-I)/Co(0)/Co(+I) Catalytic Cycle for Co(-I)-Catalyzed Hydrogenation

A theoretical study on the mechanism, regiochemistry, and stereochemistry of hydrosilylation catalyzed by cationic ruthenium complexes

A theoretical study on the nature of on- and off-states of reversibly photoswitching fluorescent protein Dronpa: absorption, emission, protonation, and Raman.

A theoretical study on the trans-addition intramolecular hydroacylation of 4-alkynals catalyzed by cationic rhodium complexes

Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni-Dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor.

Asymmetric Total Synthesis of Cerorubenic Acid-III

Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution

Brønsted-Acid-Promoted Rh-Catalyzed Asymmetric Hydrogenation of N-Unprotected Indoles: A Cocatalysis of Transition Metal and Anion Binding

Catalytic asymmetric trifluoromethylthiolation of carbonyl compounds via a diastereo and enantioselective Cu-catalyzed tandem reaction

Colorimetric Calcium Probe with Comparison to an Ion-Selective Optode

Comparative reactivity of ferric-superoxo and ferryl-oxo species in heme and non-heme complexes

Competitive mechanistic pathways for green-to-red photoconversion in the fluorescent protein Kaede: a computational study.

Computational Prediction of Excited-State Carbon Tunneling in the Two Steps of Triplet Zimmerman Di-π-Methane Rearrangement

Computational Study on the Reaction Mechanism of Hydrosilylation of Carbonyls Catalyzed by High-Valent Rhenium(V)−Di-oxo Complexes

Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions

Correction to Brønsted-Acid-Promoted Rh-Catalyzed Asymmetric Hydrogenation of N-Unprotected Indoles: A Cocatalysis of Transition Metal and Anion Binding

DFT and ONIOM(DFT:MM) studies on Co-C bond cleavage and hydrogen transfer in B12-dependent methylmalonyl-CoA mutase. Stepwise or concerted mechanism?

Dearomative indole [5+2] cycloaddition reactions: stereoselective synthesis of highly functionalized cyclohepta[b]indoles

Density functional theory study on a missing piece in understanding of heme chemistry: the reaction mechanism for indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase

Design and Application of Hybrid Phosphorus Ligands for Enantioselective Rh-Catalyzed Anti-Markovnikov Hydroformylation of Unfunctionalized 1,1-Disubstituted Alkenes.

Development of a novel secondary phosphine oxide-ruthenium(ii) catalyst and its application for carbonyl reduction

Efficient syntheses of (-)-crinine and (-)-aspidospermidine, and the formal synthesis of (-)-minfiensine by enantioselective intramolecular dearomative cyclization.

Enantioselective Rhodium-Catalyzed Cycloisomerization of 1,6-Allenynes to access 5/6-Fused Bicycle[4.3.0]nonadienes

Enantioselective palladium-catalyzed diboration of 1,1-disubstituted allenes

Enzyme-Inspired Chiral Secondary-Phosphine-Oxide Ligand with Dual Noncovalent Interactions for Asymmetric Hydrogenation.

Excited-State Proton Transfer Controls Irreversibility of Photoisomerization in Mononuclear Ruthenium(II) Monoaquo Complexes: A DFT Study

Experimental and theoretical studies of the propargyl-allenylindium system

Exploiting the trifluoroethyl group as a precatalyst ligand in nickel-catalyzed Suzuki-type alkylations.

Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction.

Guest-Induced Folding and Self-Assembly of Conformationally Adaptive Macrocycles into Nanosheets and Nanotubes

Highly Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes under Mild Conditions

Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex.

Iridium-Catalyzed Asymmetric Hydrogenation of Ketones with Accessible and Modular Ferrocene-Based Amino-phosphine Acid (f-Ampha) Ligands

Ligand-controlled reactivity, selectivity, and mechanism of cationic ruthenium-catalyzed hydrosilylations of alkynes, ketones, and nitriles: a theoretical study

Ligand-controlled remarkable regio- and stereodivergence in intermolecular hydrosilylation of internal alkynes: experimental and theoretical studies.

Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection

Mechanistic studies on the formation of linear polyethylene chain catalyzed by palladium phosphine-sulfonate complexes: experiment and theoretical studies.

Multiscale Quantum Refinement Approaches for Metalloproteins

New Mechanistic Insights on the Selectivity of Transition-Metal-Catalyzed Organic Reactions: The Role of Computational Chemistry.

Nickel-catalyzed asymmetric hydrogenation of β-acylamino nitroolefins: an efficient approach to chiral amines.

ONIOM study on a missing piece in our understanding of heme chemistry: bacterial tryptophan 2,3-dioxygenase with dual oxidants.

Organocatalytic atroposelective synthesis of axially chiral styrenes

Pd-catalyzed copolymerization of methyl acrylate with carbon monoxide: structures, properties and mechanistic aspects toward ligand design

Photodynamics of All-trans Retinal Protonated Schiff Base in Bacteriorhodopsin and Methanol Solution

Practical and Asymmetric Reductive Coupling of Isoquinolines Templated by Chiral Diborons.

Reaction Mechanism of Cu(I)-Mediated Reductive CO2 Coupling for the Selective Formation of Oxalate: Cooperative CO2 Reduction To Give Mixed-Valence Cu2(CO2•-) and Nucleophilic-Like Attack

Reaction mechanism of photoinduced decarboxylation of the photoactivatable green fluorescent protein: an ONIOM(QM:MM) study

Rhodium-catalyzed asymmetric hydrogenation of β-cyanocinnamic esters with the assistance of a single hydrogen bond in a precise position.

Ru-Catalyzed Migratory Geminal Semihydrogenation of Internal Alkynes to Terminal Olefins

Silicon-oriented regio- and enantioselective rhodium-catalyzed hydroformylation.

The ONIOM Method and Its Applications.

Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-B by Tryptophan and Dissociation of Homodimer

Unusual KIE and dynamics effects in the Fe-catalyzed hetero-Diels-Alder reaction of unactivated aldehydes and dienes

Water as a Direct Proton Source for Asymmetric Hydroarylation Catalyzed by a Rh(I)-Diene: Access to Nonproteinogenic β<sup>2</sup>/γ<sup>2</sup>/δ<sup>2</sup>-Amino Acid Derivatives

Why did incorporation of acrylonitrile to a linear polyethylene become possible? Comparison of phosphine-sulfonate ligand with diphosphine and imine-phenolate ligands in the Pd-catalyzed ethylene/acrylonitrile copolymerization

Zinc-homocysteine binding in cobalamin-dependent methionine synthase and its role in the substrate activation: DFT, ONIOM, and QM/MM molecular dynamics studies