Lista de obras - Ming-Kang Tsai - Dominio Público Uruguay

A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface

scientific article published on 01 June 2018

Access to β-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts

scientific article published on 12 September 2018

Adsorption and dehydrogenation of ethane, propane and butane on Rh13 clusters supported on unzipped graphene oxide and TiO2(110) - a DFT study.

artículo científico publicado en 2016

Assessment of density functional approximations for the hemibonded structure of the water dimer radical cation

artículo científico publicado en 2012

Assessment of dispersion-improved exchange-correlation functionals for the simulation of CO2binding by alcoholamines

artículo científico publicado en 2014

Asymmetric Synthesis of β-Aryl β-Imido Sulfones Using Rhodium Catalysts with Chiral Diene Ligands: Synthesis of Apremilast

scientific article published on 31 May 2019

CO2 reduction catalysis by tunable square-planar transition-metal complexes: a theoretical investigation using nitrogen-substituted carbon nanotube models

artículo científico publicado en 2017

Characterization of redox states of Ru(OH(2))(Q)(tpy)(2+) (Q = 3,5-di-tert-butyl-1,2-benzoquinone, tpy = 2,2':6',2''-terpyridine) and related species through experimental and theoretical studies.

artículo científico publicado en 2009

Dihydrooxazine N-Oxide Intermediates as Resting States in Organocatalytic Kinetic Resolution of Functionalized Nitroallylic Amines with Aldehydes

artículo científico publicado en 2016

Enantioselective Rhodium-Catalyzed Allylation of Aliphatic Imines: Synthesis of Chiral C-Aliphatic Homoallylic Amines

artículo científico publicado en 2020

Enhancing C-C bond formation by surface strain: a computational investigation for C2 and C3 intermediate formation on strained Cu surfaces

scientific article published on 01 October 2019

Evaluation of a ruthenium oxyquinolate architecture for dye-sensitized solar cells

artículo científico publicado en 2011

Exploring the noninnocent character of electron rich π-extended 8-oxyquinolate ligands in ruthenium(II) bipyridyl complexes

artículo científico publicado en 2014

Harnessing Dielectric Confinement on Tin Perovskites to Achieve Emission Quantum Yield up to 21

artículo científico publicado en 2019

Hybrid approach for free energy calculations with high-level methods: application to the SN2 reaction of CHCl3 and OH- in water

scientific article published on 01 August 2007

Identification of Stabilizing High-Valent Active Sites by Operando High-Energy Resolution Fluorescence-Detected X-ray Absorption Spectroscopy for High-Efficiency Water Oxidation

scientific article published on 29 November 2018

Infrared photodissociation spectroscopy of Mg(+)(H2O)Ar(n) complexes: isomers in progressive microsolvation.

artículo científico publicado en 2005

Investigation of Monomeric versus Dimeric fac- Rhenium(I) Tricarbonyl Systems Containing the Noninnocent 8-Oxyquinolate Ligand

Mechanism of water oxidation by single-site ruthenium complex catalysts

artículo científico publicado en 2010

Operando time-resolved X-ray absorption spectroscopy reveals the chemical nature enabling highly selective CO2 reduction

artículo científico publicado en 2020

Organocascade Synthesis of Annulated (Z)-2-Methylenepyrans: Nucleophilic Conjugate Addition of Hydroxycoumarins and Pyranone to Branched Nitro Enynes via Allene Formation/Oxa-Michael Cyclization/Alkene Isomerization Sequence

artículo científico publicado en 2016

Oxidation state characterization of ruthenium 2-iminoquinone complexes through experimental and theoretical studies

artículo científico publicado en 2010

PSb+P Ligand: Platform for a Stibenium to Transition-Metal Interaction

scientific article published on 20 March 2020

Ruthenium complexes with non-innocent ligands: Electron distribution and implications for catalysis

Signature OH absorption spectrum from cluster models of solvation: a solvent-to-solute charge transfer state

scientific article published on 03 October 2007

Structural evolution and solvation of the OH radical in ionized water radical cations (H2O)n(+), n = 5-8

artículo científico publicado en 2014

Superior Stability and Emission Quantum Yield (23% ± 3%) of Single-Layer 2D Tin Perovskite TEA2 SnI4 via Thiocyanate Passivation

scientific article published on 20 April 2020

The Interplay Between Polarizability and Hydrogen Bond Network of Water: Reparametrizing the Flexible Single Point-Charge Water Model by the Nonlinear Adaptive Force Matching Approach

artículo científico publicado en 2018

The dynamics and spectroscopic fingerprint of hydroxyl radical generation through water dimer ionization: ab initio molecular dynamic simulation study

scientific article published on 01 October 2012

Lista de obras de Ming-Kang Tsai

A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface

Access to β-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts

Adsorption and dehydrogenation of ethane, propane and butane on Rh13 clusters supported on unzipped graphene oxide and TiO2(110) - a DFT study.

Assessment of density functional approximations for the hemibonded structure of the water dimer radical cation

Assessment of dispersion-improved exchange-correlation functionals for the simulation of CO2binding by alcoholamines

Asymmetric Synthesis of β-Aryl β-Imido Sulfones Using Rhodium Catalysts with Chiral Diene Ligands: Synthesis of Apremilast

CO2 reduction catalysis by tunable square-planar transition-metal complexes: a theoretical investigation using nitrogen-substituted carbon nanotube models

Characterization of redox states of Ru(OH(2))(Q)(tpy)(2+) (Q = 3,5-di-tert-butyl-1,2-benzoquinone, tpy = 2,2':6',2''-terpyridine) and related species through experimental and theoretical studies.

Dihydrooxazine N-Oxide Intermediates as Resting States in Organocatalytic Kinetic Resolution of Functionalized Nitroallylic Amines with Aldehydes

Enantioselective Rhodium-Catalyzed Allylation of Aliphatic Imines: Synthesis of Chiral C-Aliphatic Homoallylic Amines

Enhancing C-C bond formation by surface strain: a computational investigation for C2 and C3 intermediate formation on strained Cu surfaces

Evaluation of a ruthenium oxyquinolate architecture for dye-sensitized solar cells

Exploring the noninnocent character of electron rich π-extended 8-oxyquinolate ligands in ruthenium(II) bipyridyl complexes

Harnessing Dielectric Confinement on Tin Perovskites to Achieve Emission Quantum Yield up to 21

Hybrid approach for free energy calculations with high-level methods: application to the SN2 reaction of CHCl3 and OH- in water

Identification of Stabilizing High-Valent Active Sites by Operando High-Energy Resolution Fluorescence-Detected X-ray Absorption Spectroscopy for High-Efficiency Water Oxidation

Infrared photodissociation spectroscopy of Mg(+)(H2O)Ar(n) complexes: isomers in progressive microsolvation.

Investigation of Monomeric versus Dimeric fac- Rhenium(I) Tricarbonyl Systems Containing the Noninnocent 8-Oxyquinolate Ligand

Mechanism of water oxidation by single-site ruthenium complex catalysts

Operando time-resolved X-ray absorption spectroscopy reveals the chemical nature enabling highly selective CO2 reduction

Organocascade Synthesis of Annulated (Z)-2-Methylenepyrans: Nucleophilic Conjugate Addition of Hydroxycoumarins and Pyranone to Branched Nitro Enynes via Allene Formation/Oxa-Michael Cyclization/Alkene Isomerization Sequence

Oxidation state characterization of ruthenium 2-iminoquinone complexes through experimental and theoretical studies

PSb+P Ligand: Platform for a Stibenium to Transition-Metal Interaction

Ruthenium complexes with non-innocent ligands: Electron distribution and implications for catalysis

Signature OH absorption spectrum from cluster models of solvation: a solvent-to-solute charge transfer state

Structural evolution and solvation of the OH radical in ionized water radical cations (H2O)n(+), n = 5-8

Superior Stability and Emission Quantum Yield (23% ± 3%) of Single-Layer 2D Tin Perovskite TEA2 SnI4 via Thiocyanate Passivation

The Interplay Between Polarizability and Hydrogen Bond Network of Water: Reparametrizing the Flexible Single Point-Charge Water Model by the Nonlinear Adaptive Force Matching Approach

The dynamics and spectroscopic fingerprint of hydroxyl radical generation through water dimer ionization: ab initio molecular dynamic simulation study

Tuning Oxyquinolate Non-Innocence at the Ruthenium Polypyridyl Core