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A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions DOI: doi:10.19061/iochem-bd-1-3

This dataset derived results are published in:

Manuscript title: A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201504956

AB_NiCoP DOI: doi:10.19061/iochem-bd-1-34

AB_NiCoP

No other publication derived

Acetol to pyruvaldehyde on Ag, AgOx Ag, and Ag2O DOI: doi:10.19061/iochem-bd-1-8

This dataset derived results are published in:

Manuscript title: Glycerol oxidehydration to pyruvaldehyde over silver-based catalysts for improved lactic acid production

Journal: Green Chem.

DOI: 10.1039/C6GC00894A

Additional_reactions

Additional_reactions

No other publication derived

Al(x)Cr(y)_Keggin_oxos DOI: doi:10.19061/iochem-bd-1-23

Al(x)Cr(y)_Keggin_oxos

This dataset derived results are published in:

Manuscript title: Crystallizing Elusive Chromium Polycations.

Journal: Chem

DOI: 10.1016/j.chempr.2016.11.006

Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water DOI: doi:10.19061/iochem-bd-1-88

Decaniobate

This dataset derived results are published in:

Manuscript title: Alkali-Driven Disassembly and Reassembly of Molecular Niobium Oxide in Water

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.8b05015

Analysis of the interaction between Keplerate nanocapsules and their anionic ligands DOI: doi:10.19061/iochem-bd-1-33

Analysis of the interaction between Keplerate nanocapsules and their anionic ligands

This dataset derived results are published in:

Manuscript title: Anions coordinating anions: Analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands

Journal: PCCP

DOI: 10.1039/C6CP08511C

AnS2(2+)_cations DOI: doi:10.19061/iochem-bd-1-30

AnS2(2+)_cations

This dataset derived results are published in:

Manuscript title: Synthesis, structure and bonding of actinide disulphide dications in the gas phase

Journal: PCCP

DOI: 10.1039/c7cp01446e

Aromatic_Amination_of_Lactones DOI: doi:10.19061/iochem-bd-1-21

Aromatic_Amination_of_Lactones

This dataset derived results are published in:

Manuscript title: Metal-Free Synthesis of N-Aryl Amides using Organocatalytic Ring-Opening Aminolysis of Lactones

Journal: ChemSusChem

DOI: 10.1002/cssc.201700415

Au-NC

Au-NC

No other publication derived

AuNP-SPO DOI: doi:10.19061/iochem-bd-1-25

AuNP-SPO

This dataset derived results are published in:

Manuscript title: Concerted Chemoselective Hydrogenation of Acrolein on Secondary Phosphine Oxide Decorated Gold Nanoparticles

Journal: ACS Catal.

DOI: 10.1021/acscatal.7b00355

Calculation of reaction Free Energies in Solution: A comparison of Current Approaches

free_energy

This dataset derived results are published in:

Manuscript title: Calculation of reaction Free Energies in Solution: A comparison of Current Approaches

Journal: J. Phys. Chem. A

DOI: 10.1021/acs.jpca.7b11580

Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and iso-Thiazoles DOI: doi:10.19061/iochem-bd-1-45

This dataset derived results are published in:

Manuscript title: Catalytic Nitrene Transfer To Alkynes: A Novel and Versatile Route for the Synthesis of Sulfinamides and iso-Thiazoles

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/ange.201705664

CeO2(100)

CeO2(100)

No other publication derived

CO2_to_Methanol_on_In2O3

CO2_to_Methanol_on_In2O3

This dataset derived results are published in:

Manuscript title: Mechanism and microkinetics of methanol synthesis via CO2 hydrogenation on indium oxide.

Journal: J. Catal.

DOI: https://doi.org/10.1016/j.jcat.2018.03.014

Collection of: A coupled Density Functional Theory-Microkinetic modeling for the hydrodeoxygenation of glycerol to propylene on MoO3

Glycerol_Conversion_to_propylene

This dataset derived results are published in:

Manuscript title: A coupled Density Functional Theory-Microkinetic modeling for the hydrodeoxygenation of glycerol to propylene on MoO3

Journal: ACS Sustain. Chem. Eng.

DOI: 10.1021/acssuschemeng.8b02933

Collection of: One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods

MoO3_Benchmark_and_Vacancy-Characterization

This dataset derived results are published in:

Manuscript title: One Oxygen Vacancy, Two Charge States: Characterization of Reduced α-MoO3(010) through Theoretical Methods

DOI: 10.1021/acs.jpclett.8b00536

Collective Descriptors for the Adsorption of Sugar Alcohols on Pt and Pd(111) DOI: doi:10.19061/iochem-bd-1-19

This dataset derived results are published in:

Manuscript title: Collective Descriptors for the Adsorption of Sugar Alcohols on Pt and Pd (111)

Journal: J. Phys. Chem. C

DOI: 10.1021/jp502819s

Computational study on the mechanism of the reaction of carbondioxide with siloxy silanes DOI: doi:10.19061/iochem-bd-1-36

Computational study on the mechanism of the reaction of carbondioxide with siloxy silanes

This dataset derived results are published in:

Manuscript title: Computational study on the mechanism of the reaction of carbondioxide with siloxy silanes

Journal: Theor. Chem. Acc.

DOI: 10.1007/s00214-017-2097-8

Computationally-guided design of a readily assembled phosphite-thioether ligand for a broad range of Pd-catalyzed asymmetric allylic substitutions

This dataset derived results are published in:

Manuscript title: Computationally-guided design of a readily assembled phosphitethioether ligand for a broad range of Pd-catalyzed asymmetric allylic substitutions

Journal: ligand for a broad range of Pd-catalyzed asymmetric allylic substitutions ACS Catal.

DOI: ligand for a broad range of Pd-catalyzed asymmetric allylic substitutions

Copper catalyzed borylative ring closing C-C coupling toward spiro- and dispiroheterocycles DOI: doi:10.19061/iochem-bd-1-67

This dataset derived results are published in:

Manuscript title: Copper catalyzed borylative ring closing C-C coupling toward spiro- and dispiroheterocycles

Journal: ACS Catal.

DOI: 10.1021/acscatal.8b00257

Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies

CuReductionAzides

This dataset derived results are published in:

Manuscript title: Copper-Mediated Reduction of Azides under Seemingly Oxidising Conditions: Catalytic and Computational Studies

Cs+ contac ion-pairing between hexaniobates and hexatantalates DOI: doi:10.19061/iochem-bd-1-31

Relativistic effects & EDA

This dataset derived results are published in:

Manuscript title: Cs+ contac ion-pairing between hexaniobates and hexatantalates

Journal: PCCP

DOI: 10.1039/C6CP08454K

Cyclobutene vs. 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture DOI: doi:10.19061/iochem-bd-1-47

This dataset derived results are published in:

Manuscript title: Cyclobutene vs. 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes: The Complete Mechanistic Picture

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.7b03005

Data Set for: Decarbonylation

No other publication derived

Data Set for: Prevalence of trans-Alkenes in Hydrogenation Processes on Metal Surfaces: A Density Functional Theory Study

This dataset derived results are published in:

Manuscript title: Prevalence of trans-Alkenes in Hydrogenation Processes on Metal Surfaces: A Density Functional Theory Study

Journal: J. Phys. Chem. C

DOI: 10.1021/acs.jpcc.8b06880

Database_Prussian_blue_derivatives DOI: doi:10.19061/iochem-bd-1-20

Database_Prussian_blue_derivatives

This dataset derived results are published in:

Manuscript title: A Database of the Structural and Electronic Properties of Prussian Blue, Prussian White, and Berlin Green Compounds through Density Functional Theory

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.6b02200

descriptors/neutral_molecules

descriptors/neutral_molecules

No other publication derived

descriptors/radical_molecules

descriptors/radical_molecules

No other publication derived

Diversity at the Water-Metal Interface: Metal, Water Thickness, and Confinement Effects. DOI: doi:10.19061/iochem-bd-1-1

This dataset derived results are published in:

Manuscript title: Diversity at the Water–Metal Interface: Metal, Water Thickness, and Confinement Effects

Journal: ACS Cent. Sci.

DOI: 10.1021/acscentsci.5b00349

Electrochemical_of_PNP-HHDMA DOI: doi:10.19061/iochem-bd-1-9

Electrochemical_of_PNP-HHDMA

This dataset derived results are published in:

Manuscript title: Electrochemical Effects at Surfactant–Platinum Nanoparticle Interfaces Boost Catalytic Performance

Journal: ChemCatChem

DOI: 10.1002/cctc.201601134

Electronic Structure Studies on the Whole Keplerate Family DOI: doi:10.19061/iochem-bd-1-24

Predicting New Members

This dataset derived results are published in:

Manuscript title: Electronic Structure Studies on the Whole Keplerate Family: Predicting New Members

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201605981

Elucidating the Mechanism of Aryl Aminations Mediated by NHC- Supported Nickel Complexes: Evidence for a Non-radical Ni(0)/Ni(II) Pathway

Experimental/Computational join study of Ni-catalyzed aryl amination.

This dataset derived results are published in:

Manuscript title: Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Non-radical Ni(0)/Ni(II) Pathway

Journal: ACS Catal.

DOI: 10.1021/acscatal.8b00856

Enantioselective Synthesis of Aminodiols by Sequential Rh-Catalysed Oxyamination/Kinetic Resolution. Expanding the Substrate Scope of Amidine-Based Catalysis DOI: doi:10.19061/iochem-bd-1-65

This dataset derived results are published in:

Manuscript title: Enantioselective Synthesis of Aminodiols by Sequential Rh-Catalysed Oxyamination/Kinetic Resolution. Expanding the Substrate Scope of Amidine-Based Catalysis

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201705670

Enantioselective Synthesis of Aminodiols by Sequential Rh-Catalysed Oxyamination/Kinetic Resolution. Expanding the Substrate Scope of Amidine-Based Catalysis

This dataset derived results are published in:

Manuscript title: Enantioselective Synthesis of Aminodiols by Sequential Rh-Catalysed Oxyamination/Kinetic Resolution. Expanding the Substrate Scope of Amidine-Based Catalysis

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201705670

Ensemble Design in Nickel Phosphide Catalysts for Alkyne Semi-Hydrogenation

C2H2_semihydrogenation_NixPy

This dataset derived results are published in:

Manuscript title: Ensemble Design in Nickel Phosphide Catalysts for Alkyne Semi-Hydrogenation

Journal: ChemCatChem

DOI: 10.1002/cctc.201801430R2

Epimerization_of_glucose_mannose_pair_on_Mo-based_compounds DOI: doi:10.19061/iochem-bd-1-44

Epimerization_of_glucose_mannose_pair_on_Mo-based_compounds

No other publication derived

Epimerization_of_glucose_mannose_pair_on_Mo-based_compounds

Epimerization_of_glucose_mannose_pair_on_Mo-based_compounds

No other publication derived

Fe(III) Keggin structures DOI: doi:10.19061/iochem-bd-1-18

Fe_Keggins

This dataset derived results are published in:

Manuscript title: Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates

Journal: J. Phys. Chem. A

DOI: 10.1021/acs.jpca.6b10763

Glucose_and_Mannose hydrogenation to sorbitol and mannitol DOI: doi:10.19061/iochem-bd-1-16

Glucose_and_Mannose

This dataset derived results are published in:

Manuscript title: Catalyst and Process Design for the Continuous Manufacture of rare Sugar Alcohols by Epimerization–Hydrogenation of Aldoses

DOI: 10.1002/cssc.201600755

Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMenPh(3-n))4] DOI: doi:10.19061/iochem-bd-1-55

This dataset derived results are published in:

Manuscript title: Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMenPh(3-n))4]

Journal: Chem. Eur. J.

DOI: Reactions of Aryl Halides with [Ni(PMenPh(3-n))4] 10.1002/chem.201702331

Heterostructure_Fe2O3-Fe2TiO5-CoFe-PB

Heterostructure_Fe2O3-Fe2TiO5-CoFe-PB

No other publication derived

Hierarchical self-assembly of polyoxometalate-based hybrids driven by metal coordination and electrostatic interactions: from discrete supramolecular species to dense monodisperse nanoparticles. DOI: doi:10.19061/iochem-bd-1-5

This dataset derived results are published in:

Manuscript title: Hierarchical Self-Assembly of Polyoxometalate-Based Hybrids Driven by Metal Coordination and Electrostatic Interactions: From Discrete Supramolecular Species to Dense Monodisperse Nanoparticles

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.6b00972

Hydrogenation of nitroaromatics to aniline on Pt(111), Pt3Pb(111), and Pt(111)-HHDMA

This dataset derived results are published in:

Manuscript title: Structure and Reactivity of Supported Hybrid Platinum Nanoparticles for the Flow Hydrogenation of Functionalized Nitroaromatics

Journal: ACS Catal.

DOI: 10.1021/acscatal.5b00885

In2O3-SEC DOI: doi:10.19061/iochem-bd-1-46

In2O3-SEC

This dataset derived results are published in:

Manuscript title: Semi-hydrogenation of Acetylene on Indium Oxide: Proposed Single Ensemble Catalysis

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201704999

Levulinic Acid hydrogenation to Gamma-Valerolatone DOI: doi:10.19061/iochem-bd-1-15

la2gvl

This dataset derived results are published in:

Manuscript title: Interfacial acidity in ligand-modified ruthenium nanoparticles boosts the hydrogenation of levulinic acid to gamma-alerolactone

Journal: Green Chem.

DOI: 10.1039/c6gc02586b

lignin_depolymerization

lignin_depolymerization

No other publication derived

Measuring the relative reactivity of the carbon-hydrogen bonds of alkanes as nucleophiles DOI: doi:10.19061/iochem-bd-1-90

alkanes

This dataset derived results are published in:

Manuscript title: Measuring the relative reactivity of the carbon-hydrogen bonds of alkanes as nucleophiles

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201807448

Mechanistic Insights into the Carbon Dioxide-Cyclohexene Oxide Copolymerization reaction DOI: doi:10.19061/iochem-bd-1-17

Four potential mechanisms were considered for the first propagation cycle of the CHO/CO2 copolymerization

This dataset derived results are published in:

Manuscript title: Mechanistic Insights into the Carbon Dioxide-Cyclohexene Oxide Copolymerization reaction: Is one Metal Center enough?

Journal: ChemSusChem

DOI: 10.1002/cssc.20160152

Mechanistic Studies on the Gold-Catalyzed Direct Arene C-H Bond Functionalization by Carbene Insertion: the Coinage Metal Effect DOI: doi:10.19061/iochem-bd-1-11

Mechanistic Studies on the Gold-Catalyzed Direct Arene C-H Bond Functionalization by Carbene Insertion: the Coinage Metal Effect

This dataset derived results are published in:

Manuscript title: Mechanistic Studies on Gold-Catalyzed Direct Arene C–H Bond Functionalization by Carbene Insertion: The Coinage-Metal Effect

Journal: Organometallics

DOI: 10.1021/acs.organomet.6b00604

Mechanistic Study on Limonene Oxide and Carbon Dioxide Copolymerisation

This dataset derived results are published in:

Manuscript title: AlIII-Catalysed Formation of Poly(limonene)carbonate: DFT Analysis of the Origin of Stereoregularity

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201406334

Michael_addition_vs_Diels_Alder DOI: doi:10.19061/iochem-bd-1-28

Michael_addition_vs_Diels_Alder

This dataset derived results are published in:

Manuscript title: Light-Driven Enantioselective Organocatalytic beta-Benzylation of Enals

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201612159

Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database

Ethylene_glycol_reaction_network

This dataset derived results are published in:

Manuscript title: Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database

Molecular basis for the recognition of higher fullerenes into ureidopyrimidinonecyclotriveratrylene self-assembled capsules DOI: doi:10.19061/iochem-bd-1-7

This dataset derived results are published in:

Manuscript title: Molecular Basis for the Recognition of Higher Fullerenes into Ureidopyrimidinone–Cyclotriveratrylene Self-Assembled Capsules

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201601690

Molecular Motion and Conformational Interconversion of IrI·COD Included in Rebek’s Self-Folding Octaamide Cavitand DOI: doi:10.19061/iochem-bd-1-2

This dataset derived results are published in:

Manuscript title: Molecular Motion and Conformational Interconversion of IrI·COD Included in Rebek’s Self-Folding Octaamide Cavitand

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.5b12646

Molecular_fragments DOI: doi:10.19061/iochem-bd-1-43

Molecular_fragments

No other publication derived

New_Vistas_in_Transmetalation_with_Discrete_AgCF3_Species DOI: doi:10.19061/iochem-bd-1-82

New_Vistas_in_Transmetalation_with_Discrete_AgCF3_Species

This dataset derived results are published in:

Manuscript title: New Vistas in Transmetalation with Discrete “AgCF3” Species: Implications in Pd‐Mediated Trifluoromethylation Reactions

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201802586

Ni100

Ni100

No other publication derived

O2activationFe2017 DOI: doi:10.19061/iochem-bd-1-102

O2activationFe2017

No other publication derived

Oxidative Carbon-Carbon Bond Cleavage by Vanadium Catalyst DOI: doi:10.19061/iochem-bd-1-53

Efficient Vanadium-Catalyzed Aerobic C?C Bond OxidativeCleavage of Vicinal Diols

This dataset derived results are published in:

Manuscript title: Efficient Vanadium-Catalyzed Aerobic CC Bond OxidativeCleavage of Vicinal Diols

Journal: Adv. Synth. Catal.

DOI: https://doi.org/10.1002/adsc.201800050

palladium_sulfide_nanoparticles_for_alkyne_semi-hydrogenation

palladium_sulfide_nanoparticles_for_alkyne_semi-hydrogenation

No other publication derived

Pd SAHCs on ECN for Suzuki cross-coupling

A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling

This dataset derived results are published in:

Manuscript title: A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling

DOI: 10.1038/s41565-018-0167-2

Pd-P

Pd-P

No other publication derived

Pd_O2_final DOI: doi:10.19061/iochem-bd-1-85

Pd_O2_final

This dataset derived results are published in:

Manuscript title: Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-type Behavior

Journal: ACS Catal.

DOI: 10.1021/acscatal.8b01540

Photoanodes_BiVO4_CoFe-PB DOI: doi:10.19061/iochem-bd-1-50

BiVO4 photoanodes modified with a Co-Fe Prussian Blue catalyst

This dataset derived results are published in:

Manuscript title: Cobalt Hexacyanoferrate on BiVO4 Photoanodes for Robust Water Splitting

DOI: 10.1021/acsami.7b09449

Photoanodes_Fe2O3_CoFe-PB DOI: doi:10.19061/iochem-bd-1-51

Photoanodes_Fe2O3_CoFe-PB

No other publication derived

Photochromism and Dual-Color Fluorescence in a Polyoxometalate–Benzospiropyran Molecular Switch DOI: doi:10.19061/iochem-bd-1-27

Fluorescence and Photochromic Properties in a POM-BSPR_hybrid compound

This dataset derived results are published in:

Manuscript title: Photochromism and Dual-Color Fluorescence in a Polyoxometalate–Benzospiropyran Molecular Switch

Journal: Angew. Chem. Int. Ed.

PrLn

PrLn

No other publication derived

Pt@graphene(F,_OH,_H,_CN) DOI: doi:10.19061/iochem-bd-1-101

Pt@graphene(F,_OH,_H,_CN)

No other publication derived

Raman spectra of species observed during the formation of [Mo 132] Keplerates DOI: doi:10.19061/iochem-bd-1-32

Raman

This dataset derived results are published in:

Manuscript title: Direct Observation of the Formation Pathway of [Mo 132] Keplerates

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.5b02570

Reduction Rate of 1-Phenylphospholane 1-Oxide Enhanced by Silanol Byproducts: Comprehensive DFT study and Kinetic Modeling Linked to Reagent Design

This dataset derived results are published in:

Manuscript title: Reduction Rate of 1-Phenylphospholane 1-Oxide Enhanced by Silanol Byproducts: Comprehensive DFT study and Kinetic Modeling Linked to Reagent Design

Journal: J. Org. Chem.

DOI: 10.1021/acs.joc.8b00860

Regioselective Catalysis by the {Mo132} nanocapsule

A computational inspection.

This dataset derived results are published in:

Manuscript title: Regioselective Catalysis by the {Mo132} nanocapsule: A computational inspection.

Journal: Eur. J. Inorg. Chem.

DOI: 10.1002/ejic.201800155

Ru-OAc-Cl-Toluene DOI: doi:10.19061/iochem-bd-1-89

Ru-OAc-Cl-Toluene

No other publication derived

Ru_homocoupling_iochemAccelerated Ru?Cu trinuclear cooperative C?H bond functionalization of carbazoles: a kinetic and computational investigation DOI: doi:10.19061/iochem-bd-1-86

This dataset derived results are published in:

Manuscript title: Accelerated Ru?Cu trinuclear cooperative C?H bond functionalization of carbazoles: a kinetic and computational investigation

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201802886

RuO2_C2H4_Oxychlorination DOI: doi:10.19061/iochem-bd-1-38

RuO2_C2H4_Oxychlorination

No other publication derived

Salmeron DOI: doi:10.19061/iochem-bd-1-42

Salmeron

No other publication derived

Shape_control_in_gold_nanoparticles_by_N-containing_ligands DOI: doi:10.19061/iochem-bd-1-49

Shape_control_in_gold_nanoparticles_by_N-containing_ligands

No other publication derived

Single Electron Transfer Steps in Water Oxidation Catalysis. Redefining the Mechanistic Scenario DOI: doi:10.19061/iochem-bd-1-26

This dataset derived results are published in:

Manuscript title: Single Electron Transfer Steps in Water Oxidation Catalysis. Redefining the Mechanistic Scenario

Journal: ACS Catal.

DOI: 10.1021/acscatal.6b03253

Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds

C3N4 frameworks for Pd stabilization

This dataset derived results are published in:

Manuscript title: Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds

Journal: Natl Sci Rev

DOI: 10.1093/nsr/nwy048

Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001) DOI: doi:10.19061/iochem-bd-1-39

This dataset derived results are published in:

Manuscript title: Solvation Effects on Methanol Decomposition on Pd(111), Pt(111) and Ru(0001)

Journal: J. Phys. Chem. C

DOI: 10.1021/acs.jpcc.7b05545

Stereoselective and Versatile Preparation of Tri- and Tetra- Substituted Allylic Amine Scaffolds under Mild Conditions DOI: doi:10.19061/iochem-bd-1-10

This dataset derived results are published in:

Manuscript title: Stereoselective and Versatile Preparation of Tri- and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.6b07382

The interplay between homogeneous and heterogeneous phases of PdAu catalysts for the oxidation of alcohols DOI: doi:10.19061/iochem-bd-1-6

This dataset derived results are published in:

Manuscript title: The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of Alcohols

Journal: ACS Catal.

DOI: 10.1021/acscatal.6b00832

Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes DOI: doi:10.19061/iochem-bd-1-22

DFT study on LnLn' interchange process depending on ionic radii

This dataset derived results are published in:

Manuscript title: Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes: Synthesis and DFT Studies

DOI: 10.1002/chem.201700095

Trichloromethylation_of_acylpyridines DOI: doi:10.19061/iochem-bd-1-48

Trichloromethylation_of_acylpyridines

This dataset derived results are published in:

Manuscript title: Computational Characterization of the Mechanism for the Light-Driven Catalytic Trichloromethylation Of Acylpyridines

Journal: Organic & Biomolecular Chemistry

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