Lista de obras - Xinhao Zhang - Dominio Público Uruguay

A DFT-based analysis of the grossly varying reactivity pattern in room-temperature activation and dehydrogenation of CH4 by main-group atomic M+ (M=Ga, Ge, As, and Se)

scientific article published on 01 November 2009

A Twist of the Twist Mechanism, 2-Iodoxybenzoic Acid (IBX)-Mediated Oxidation of Alcohol Revisited: Theory and Experiment.

artículo científico publicado en 2017

A bioinspired and biocompatible ortho-sulfiliminyl phenol synthesis.

artículo científico publicado en 2017

A combined IM-MS/DFT study on [Pd(MPAA)]-catalyzed enantioselective C-H activation: relay of chirality through a rigid framework

artículo científico publicado en 2015

A diversity-oriented synthesis of bioactive benzanilides via a regioselective C(sp2)-H hydroxylation strategy.

artículo científico publicado en 2015

A redox non-innocent ligand controls the life time of a reactive quartet excited state - an MCSCF study of [Ni(H)(OH)](+)

artículo científico publicado en 2009

Accurate calculation, prediction, and assignment of 3He NMR chemical shifts of helium-3-encapsulated fullerenes and fullerene derivatives.

artículo científico publicado en 2003

An Unusual Exchange between Alkylidyne Alkyl and Bis(alkylidene) Tungsten Complexes Promoted by Phosphine Coordination: Kinetic, Thermodynamic, and Theoretical Studies

artículo científico publicado en 2004

Assembling a Hybrid Pd Catalyst from a Chiral Anionic CoIII Complex and Ligand for Asymmetric C(sp3 )-H Functionalization

artículo científico publicado en 2018

Bonding in cationic MCH2+ (M=K-La, Hf-Rn): a theoretical study on periodic trends.

artículo científico publicado en 2010

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

artículo científico publicado en 2015

Conjugate addition vs Heck reaction: a theoretical study on competitive coupling catalyzed by isoelectronic metal (Pd(II) and Rh(I))

artículo científico publicado en 2012

Conversion of methane to methanol: nickel, palladium, and platinum (d9) cations as catalysts for the oxidation of methane by ozone at room temperature

scientific article published on 08 September 2010

Copper(I)-Catalyzed Intramolecular Asymmetric Double C-Arylation for the Formation of Chiral Spirocyclic Bis-oxindoles

scientific article published on 03 June 2019

Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide

scientific article published on 18 December 2018

Density Functional Theory Study of the Reaction between d0 Tungsten Alkylidyne Complexes and H2O: Addition versus Hydrolysis.

artículo científico publicado en 2017

Designing new Togni reagents by computation

artículo científico publicado en 2019

Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.

artículo científico publicado en 2017

Directing Effects on the Copper-Catalyzed Site-Selective Arylation of Indoles

artículo científico publicado en 2018

Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C-O Coupling Reactions via Asymmetric Desymmetrization

artículo científico publicado en 2017

Enantioselective formation of cyano-bearing all-carbon quaternary stereocenters: desymmetrization by copper-catalyzed N-arylation

artículo científico publicado en 2014

Exploring an expedient IMDA reaction approach to construct the guanacastepene core

artículo científico publicado en 2005

Facile difluoromethylation of aliphatic alcohols with an S-(difluoro-methyl)sulfonium salt: reaction, scope and mechanistic study

scientific article published on 05 June 2019

Facile dissociation of [(LNi(II))2E2] dichalcogenides: evidence for [LNi(II)E2] superselenides and supertellurides in solution.

artículo científico publicado en 2009

Fluorine-substitution induced switching of dissociation patterns of C6H4+ produced by photoelimination of MgF2 from the complexes of mg+ (multifluorobenzene).

artículo científico publicado en 2005

Formal syntheses of (±)-platensimycin and (±)-platencin via a dual-mode Lewis acid induced cascade cyclization approach.

artículo científico publicado en 2013

Gas-phase reactions of cationic vanadium-phosphorus oxide clusters with C2H(x) (x=4, 6): a DFT-based analysis of reactivity patterns.

artículo científico publicado en 2013

Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes

artículo científico publicado en 2019

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

artículo científico publicado en 2015

Ir-Catalyzed Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes: A Combined Experimental and Computational Study.

artículo científico publicado en 2016

Iron(III)-Catalyzed Ortho-Preferred Radical Nucleophilic Alkylation of Electron-Deficient Arenes

artículo científico publicado en 2017

Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.

artículo científico publicado en 2017

Iron-catalyzed carboazidation of alkenes and alkynes

artículo científico publicado en 2019

Isotope-Sensitive Degenerate [1,3]-Hydrogen Migration versus Competitive Enol-Keto Tautomerization

artículo científico publicado en 2009

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

artículo científico publicado en 2014

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

artículo científico publicado en 2013

Mechanism, reactivity, and selectivity in palladium-catalyzed redox-relay Heck arylations of alkenyl alcohols

artículo científico publicado en 2014

Mechanistic Study on Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between Arenes and Boronic Acids under Aerobic Conditions

artículo científico publicado en 2018

Mechanistic Study on Pd/Mono-N-protected Amino Acid Catalyzed Vinyl-Vinyl Coupling Reactions: Reactivity and E/Z Selectivity

artículo científico publicado en 2016

Mechanistic understanding of catalysis by combining mass spectrometry and computation

artículo científico publicado en 2019

Metal-Free [2+2+2] Cycloaddition of Ynamides and Nitriles: Mild and Regioselective Synthesis of Fully Substituted Pyridines.

artículo científico publicado en 2016

N(2) activation by a hafnium complex: a DFT study on CO-assisted dinitrogen cleavage and functionalization.

artículo científico publicado en 2010

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

artículo científico publicado en 2016

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

artículo científico publicado en 2013

Pd-catalyzed asymmetric intramolecular aryl C-O bond formation with SDP(O) ligand: enantioselective synthesis of (2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanols

artículo científico publicado en 2015

Pyridyne radical cations produced by photodissociation of Mg˙+(multifluoro-pyridine) complexes: A combined experimental and theoretical study

artículo científico publicado en 2007

Radical Reactivity, Catalysis, and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry

artículo científico publicado en 2019

Reaction of Ta(NMe2)5 with O2: formation of aminoxy and unusual (aminomethyl)amide oxo complexes and theoretical studies of the mechanistic pathways.

artículo científico publicado en 2007

Reactions of d0 group 4 amides with dioxygen. Preparation of unusual oxo aminoxy complexes and theoretical studies of their formation

scientific article published on 01 April 2005

Reactivities of d0 transition metal complexes toward oxygen: Synthetic and mechanistic studies

Revealing the Iron-Catalyzed β-Methyl Scission of tert-Butoxyl Radicals via the Mechanistic Studies of Carboazidation of Alkenes

scientific article published on 09 March 2020

Rh(II)/Brønsted Acid Catalyzed General and Highly Diastereo- and Enantioselective Propargylation of in Situ Generated Oxonium Ylides and C-Alkynyl N-Boc N,O-Acetals: Synthesis of Polyfunctional Propargylamines

scientific article published on 13 February 2019

Rhodium-Catalyzed C═N Bond Formation through a Rebound Hydrolysis Mechanism and Application in β-Lactam Synthesis

scientific article published on 29 May 2019

Rhodium-Catalyzed Regioselective N2 -Alkylation of Benzotriazoles with Diazo Compounds/Enynones via a Nonclassical Pathway

artículo científico publicado en 2018

Role of N-acyl amino acid ligands in Pd(II)-catalyzed remote C-H activation of tethered arenes

artículo científico publicado en 2014

Silicon-containing formal 4π-electron four-membered ring systems: antiaromatic, aromatic, or nonaromatic?

artículo científico publicado en 2012

Structure and chemistry of the heteronuclear oxo-cluster [VPO4]•+: a model system for the gas-phase oxidation of small hydrocarbons.

artículo científico publicado en 2013

Synthesis of indolo[2,1-a]isoquinolines via a triazene-directed C-H annulation cascade.

artículo científico publicado en 2014

Synthesis of ortho-Phenolic Sulfilimines via an Intermolecular Sulfur Atom Transfer Cascade Reaction

scientific article published on 27 April 2020

Theoretical studies on the mechanism and stereoselectivity of Rh(Phebox)-catalyzed asymmetric reductive aldol reaction

artículo científico publicado en 2011

Thermal activation of N-H bonds by transition-metal oxide cations: does a hierarchy exist in the first row?

artículo científico publicado en 2011

Thermal activation of methane and ethene by bare MO·+ (M=Ge, Sn, and Pb): a combined theoretical/experimental study

artículo científico publicado en 2011

Total synthesis of incarvilleatone and incarviditone: insight into their biosynthetic pathways and structure determination

artículo científico publicado en 2012

Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents

γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes

artículo científico publicado en 2017

Lista de obras de Xinhao Zhang

A DFT-based analysis of the grossly varying reactivity pattern in room-temperature activation and dehydrogenation of CH4 by main-group atomic M+ (M=Ga, Ge, As, and Se)

A Twist of the Twist Mechanism, 2-Iodoxybenzoic Acid (IBX)-Mediated Oxidation of Alcohol Revisited: Theory and Experiment.

A bioinspired and biocompatible ortho-sulfiliminyl phenol synthesis.

A combined IM-MS/DFT study on [Pd(MPAA)]-catalyzed enantioselective C-H activation: relay of chirality through a rigid framework

A diversity-oriented synthesis of bioactive benzanilides via a regioselective C(sp2)-H hydroxylation strategy.

A redox non-innocent ligand controls the life time of a reactive quartet excited state - an MCSCF study of [Ni(H)(OH)](+)

Accurate calculation, prediction, and assignment of 3He NMR chemical shifts of helium-3-encapsulated fullerenes and fullerene derivatives.

An Unusual Exchange between Alkylidyne Alkyl and Bis(alkylidene) Tungsten Complexes Promoted by Phosphine Coordination: Kinetic, Thermodynamic, and Theoretical Studies

Assembling a Hybrid Pd Catalyst from a Chiral Anionic CoIII Complex and Ligand for Asymmetric C(sp3 )-H Functionalization

Bonding in cationic MCH2+ (M=K-La, Hf-Rn): a theoretical study on periodic trends.

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

Conjugate addition vs Heck reaction: a theoretical study on competitive coupling catalyzed by isoelectronic metal (Pd(II) and Rh(I))

Conversion of methane to methanol: nickel, palladium, and platinum (d9) cations as catalysts for the oxidation of methane by ozone at room temperature

Copper(I)-Catalyzed Intramolecular Asymmetric Double C-Arylation for the Formation of Chiral Spirocyclic Bis-oxindoles

Copper-Catalyzed Radical 1,4-Difunctionalization of 1,3-Enynes with Alkyl Diacyl Peroxides and N-Fluorobenzenesulfonimide

Density Functional Theory Study of the Reaction between d0 Tungsten Alkylidyne Complexes and H2O: Addition versus Hydrolysis.

Designing new Togni reagents by computation

Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.

Directing Effects on the Copper-Catalyzed Site-Selective Arylation of Indoles

Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C-O Coupling Reactions via Asymmetric Desymmetrization

Enantioselective formation of cyano-bearing all-carbon quaternary stereocenters: desymmetrization by copper-catalyzed N-arylation

Exploring an expedient IMDA reaction approach to construct the guanacastepene core

Facile difluoromethylation of aliphatic alcohols with an S-(difluoro-methyl)sulfonium salt: reaction, scope and mechanistic study

Facile dissociation of [(LNi(II))2E2] dichalcogenides: evidence for [LNi(II)E2] superselenides and supertellurides in solution.

Fluorine-substitution induced switching of dissociation patterns of C6H4*+ produced by photoelimination of MgF2 from the complexes of mg*+ (multifluorobenzene).

Formal syntheses of (±)-platensimycin and (±)-platencin via a dual-mode Lewis acid induced cascade cyclization approach.

Gas-phase reactions of cationic vanadium-phosphorus oxide clusters with C2H(x) (x=4, 6): a DFT-based analysis of reactivity patterns.

Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes

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

Ir-Catalyzed Regio- and Stereoselective Hydrosilylation of Internal Thioalkynes: A Combined Experimental and Computational Study.

Iron(III)-Catalyzed Ortho-Preferred Radical Nucleophilic Alkylation of Electron-Deficient Arenes

Iron-Catalyzed Carboamination of Olefins: Synthesis of Amines and Disubstituted β-Amino Acids.

Iron-catalyzed carboazidation of alkenes and alkynes

Isotope-Sensitive Degenerate [1,3]-Hydrogen Migration versus Competitive Enol-Keto Tautomerization

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, reactivity, and selectivity in palladium-catalyzed redox-relay Heck arylations of alkenyl alcohols

Mechanistic Study on Cu(II)-Catalyzed Oxidative Cross-Coupling Reaction between Arenes and Boronic Acids under Aerobic Conditions

Mechanistic Study on Pd/Mono-N-protected Amino Acid Catalyzed Vinyl-Vinyl Coupling Reactions: Reactivity and E/Z Selectivity

Mechanistic understanding of catalysis by combining mass spectrometry and computation

Metal-Free [2+2+2] Cycloaddition of Ynamides and Nitriles: Mild and Regioselective Synthesis of Fully Substituted Pyridines.

N(2) activation by a hafnium complex: a DFT study on CO-assisted dinitrogen cleavage and functionalization.

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

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

Pd-catalyzed asymmetric intramolecular aryl C-O bond formation with SDP(O) ligand: enantioselective synthesis of (2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanols

Pyridyne radical cations produced by photodissociation of Mg˙+(multifluoro-pyridine) complexes: A combined experimental and theoretical study

Radical Reactivity, Catalysis, and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry

Reaction of Ta(NMe2)5 with O2: formation of aminoxy and unusual (aminomethyl)amide oxo complexes and theoretical studies of the mechanistic pathways.

Reactions of d0 group 4 amides with dioxygen. Preparation of unusual oxo aminoxy complexes and theoretical studies of their formation

Reactivities of d0 transition metal complexes toward oxygen: Synthetic and mechanistic studies

Revealing the Iron-Catalyzed β-Methyl Scission of tert-Butoxyl Radicals via the Mechanistic Studies of Carboazidation of Alkenes

Rh(II)/Brønsted Acid Catalyzed General and Highly Diastereo- and Enantioselective Propargylation of in Situ Generated Oxonium Ylides and C-Alkynyl N-Boc N,O-Acetals: Synthesis of Polyfunctional Propargylamines

Rhodium-Catalyzed C═N Bond Formation through a Rebound Hydrolysis Mechanism and Application in β-Lactam Synthesis

Rhodium-Catalyzed Regioselective N2 -Alkylation of Benzotriazoles with Diazo Compounds/Enynones via a Nonclassical Pathway

Role of N-acyl amino acid ligands in Pd(II)-catalyzed remote C-H activation of tethered arenes

Silicon-containing formal 4π-electron four-membered ring systems: antiaromatic, aromatic, or nonaromatic?

Structure and chemistry of the heteronuclear oxo-cluster [VPO4]•+: a model system for the gas-phase oxidation of small hydrocarbons.

Synthesis of indolo[2,1-a]isoquinolines via a triazene-directed C-H annulation cascade.

Synthesis of ortho-Phenolic Sulfilimines via an Intermolecular Sulfur Atom Transfer Cascade Reaction

Theoretical studies on the mechanism and stereoselectivity of Rh(Phebox)-catalyzed asymmetric reductive aldol reaction

Thermal activation of N-H bonds by transition-metal oxide cations: does a hierarchy exist in the first row?

Thermal activation of methane and ethene by bare MO·+ (M=Ge, Sn, and Pb): a combined theoretical/experimental study

Total synthesis of incarvilleatone and incarviditone: insight into their biosynthetic pathways and structure determination

Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents

γ-Amino Butyric Acid (GABA) Synthesis Enabled by Copper-Catalyzed Carboamination of Alkenes

Fluorine-substitution induced switching of dissociation patterns of C6H4+ produced by photoelimination of MgF2 from the complexes of mg+ (multifluorobenzene).