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(PhCO)2O DOI: doi:10.19061/iochem-bd-6-57

(PhCO)2O

No other publication derived

10_herbicides DOI: doi:10.19061/iochem-bd-6-237

10_herbicides

No other publication derived

12_herbicides DOI: doi:10.19061/iochem-bd-6-218

12_herbicides

No other publication derived

13_herbicides DOI: doi:10.19061/iochem-bd-6-219

13_herbicides

No other publication derived

14_herbicides

14_herbicides

No other publication derived

15_herbicides DOI: doi:10.19061/iochem-bd-6-199

15_herbicides

No other publication derived

18_herbicides

18_herbicides

No other publication derived

19_herbicides DOI: doi:10.19061/iochem-bd-6-248

19_herbicides

No other publication derived

1a DOI: doi:10.19061/iochem-bd-6-44

1a

No other publication derived

22_herbicides DOI: doi:10.19061/iochem-bd-6-238

22_herbicides

No other publication derived

23_herbicides DOI: doi:10.19061/iochem-bd-6-249

23_herbicides

No other publication derived

24_herbicides DOI: doi:10.19061/iochem-bd-6-250

24_herbicides

No other publication derived

27_herbicides

27_herbicides

No other publication derived

28_herbicides DOI: doi:10.19061/iochem-bd-6-245

28_herbicides

No other publication derived

29_herbicides

29_herbicides

No other publication derived

2_herbicides DOI: doi:10.19061/iochem-bd-6-179

2_herbicides

No other publication derived

2a DOI: doi:10.19061/iochem-bd-6-45

2a

No other publication derived

3-layer input for IP calculation of A-T base pair DOI: doi:10.19061/iochem-bd-6-25

zip file for 3-layer input for IP calculation of A-T base pair

No other publication derived

3-layer_QMMM_input DOI: doi:10.19061/iochem-bd-6-24

3-layer_QMMM_input

No other publication derived

30_herbicides DOI: doi:10.19061/iochem-bd-6-201

30_herbicides

No other publication derived

31_herbicides DOI: doi:10.19061/iochem-bd-6-246

31_herbicides

No other publication derived

32_herbicides DOI: doi:10.19061/iochem-bd-6-239

32_herbicides

No other publication derived

33_herbicides DOI: doi:10.19061/iochem-bd-6-240

33_herbicides

No other publication derived

3_herbicides DOI: doi:10.19061/iochem-bd-6-221

3_herbicides

No other publication derived

3_layer_IP DOI: doi:10.19061/iochem-bd-6-30

3_layer_IP

No other publication derived

4a DOI: doi:10.19061/iochem-bd-6-50

4a

No other publication derived

5_herbicides_triazines

5_herbicides_triazines

No other publication derived

5a DOI: doi:10.19061/iochem-bd-6-49

5a

No other publication derived

6_herbicides DOI: doi:10.19061/iochem-bd-6-236

6_herbicides

No other publication derived

6a DOI: doi:10.19061/iochem-bd-6-47

6a

No other publication derived

7a DOI: doi:10.19061/iochem-bd-6-63

7a

No other publication derived

7a_ DOI: doi:10.19061/iochem-bd-6-62

7a_

No other publication derived

8a DOI: doi:10.19061/iochem-bd-6-59

8a

No other publication derived

8a_ DOI: doi:10.19061/iochem-bd-6-58

8a_

No other publication derived

9_herbicides

9_herbicides

No other publication derived

A5_Fungicide DOI: doi:10.19061/iochem-bd-6-217

A5_Fungicide

No other publication derived

A_Fungicide DOI: doi:10.19061/iochem-bd-6-173

A_Fungicide

No other publication derived

Abe_cycloaddition

Abe_cycloaddition

No other publication derived

active_inactive_molecularOER DOI: doi:10.19061/iochem-bd-6-38

active_inactive_molecularOER

No other publication derived

adsorbed-co218-cu

adsorbed-co218-cu

This dataset derived results are published in:

Manuscript title: Probing electrolyte effects on cation-enhanced CO2 reduction on copper in acidic media

Journal: Nature Catalysis

DOI: 10.1038/s41929-024-01179-4

AIMD_on_2Pd-CeO2 DOI: doi:10.19061/iochem-bd-6-300

AIMD_on_2Pd-CeO2

No other publication derived

Alcohol_Oxidation DOI: doi:10.19061/iochem-bd-6-144

Alcohol_Oxidation

This dataset derived results are published in:

Manuscript title: Oxidation by Reduction: Efficient and Selective Oxidation of Alcohols by the Electrocatalytic Reduction of Peroxydisulfate

DOI: 10.1021/jacs.2c07305

Alizarin DOI: doi:10.19061/iochem-bd-6-231

Alizarin

No other publication derived

Allylidene-5(4H)-oxazolones DOI: doi:10.19061/iochem-bd-6-227

Allylidene-5(4H)-oxazolones

No other publication derived

Altemicidin_3_+_2 DOI: doi:10.19061/iochem-bd-6-279

Altemicidin_3_+_2

No other publication derived

Amide_5+2 DOI: doi:10.19061/iochem-bd-6-275

Amide_5+2

No other publication derived

Ammonia_Borane_Dehydrogenation DOI: doi:10.19061/iochem-bd-6-40

Ammonia_Borane_Dehydrogenation

This dataset derived results are published in:

Manuscript title: Cobalt-Catalyzed Ammonia Borane Dehydrogenation: Mechanistic Insight and Isolation of a Cobalt Hydride-Amidoborane Complex

Journal: Organometallics

DOI: 10.1021/acs.organomet.0c00459

Amorphous_organic_cage_forming_self-standing_membranes DOI: doi:10.19061/iochem-bd-6-214

Amorphous_organic_cage_forming_self-standing_membranes

This dataset derived results are published in:

Manuscript title: Gas permeation through mechanically resistant self-standing membranes of a neat amorphous organic cage

Journal: Chem. Eur. J.

DOI: 10.1002/chem.202301437

ANTIAROMATIC_DIRADICALS DOI: doi:10.19061/iochem-bd-6-359

ANTIAROMATIC_DIRADICALS

No other publication derived

Article

Article

No other publication derived

artratovirenols DOI: doi:10.19061/iochem-bd-6-356

artratovirenols

No other publication derived

ASO DOI: doi:10.19061/iochem-bd-6-167

ASO

No other publication derived

atomic_space

atomic_space

No other publication derived

Au40 DOI: doi:10.19061/iochem-bd-6-357

Au40

No other publication derived

Au8Pt DOI: doi:10.19061/iochem-bd-6-287

Au8Pt

No other publication derived

ausr DOI: doi:10.19061/iochem-bd-6-212

ausr

This dataset derived results are published in:

Manuscript title: Performance of Density Functionals and Semiempirical 3c Methods for Small Gold-Thiolate Clusters

Journal: J. Phys. Chem. A

B_Fungicides DOI: doi:10.19061/iochem-bd-6-211

B_Fungicides

No other publication derived

BCB_SF5 DOI: doi:10.19061/iochem-bd-6-274

BCB_SF5

No other publication derived

BCB_SF5_article_SI DOI: doi:10.19061/iochem-bd-6-326

BCB_SF5_article_SI

No other publication derived

BCF_Cyclopropenium

BCF_Cyclopropenium

No other publication derived

BCF_Cyclopropenium

BCF_Cyclopropenium

No other publication derived

Benchmark DFT calculations of 13C NMR chemical shifts of the natural antimalarial compounds with a new basis set 3z- S DOI: doi:10.19061/iochem-bd-6-74

This dataset derived results are published in:

Manuscript title: Benchmark DFT calculations of 13C NMR chemical shifts of the natural antimalarial compounds with a new basis set 3z- S

Journal: Int. J. Quantum Chem

Benzylpyridinium_Thermometer_Ion_Fragmentation DOI: doi:10.19061/iochem-bd-6-88

Benzylpyridinium_Thermometer_Ion_Fragmentation

No other publication derived

beta_H_elimination_NHC_vs_CAAC

beta_H_elimination_NHC_vs_CAAC

This dataset derived results are published in:

Manuscript title: The Janus face of high trans-effect carbenes in olefin metathesis: Gateway to both productivity and decomposition.

Journal: Chem. Sci.

DOI: 10.1039/D2SC00855F

BH-NBH DOI: doi:10.19061/iochem-bd-6-257

BH-NBH

No other publication derived

Bimetallic_CO2_SBQT2021

Bimetallic_CO2_SBQT2021

No other publication derived

Binary_Cu-based_catalyst DOI: doi:10.19061/iochem-bd-6-158

Binary_Cu-based_catalyst

No other publication derived

BMC DOI: doi:10.19061/iochem-bd-6-79

BMC

This dataset derived results are published in:

Manuscript title: Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium?Carbene Catalysts

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.1c04424

Bnd4_mechanism DOI: doi:10.19061/iochem-bd-6-92

Bnd4_mechanism

No other publication derived

C-H_activation_by_NCI

C-H_activation_by_NCI

No other publication derived

C1-CO2coupling DOI: doi:10.19061/iochem-bd-6-278

C1-CO2coupling

This dataset derived results are published in:

Manuscript title: Identification of CO2 as a Reactive Reagent for C–C Bond Formation via Copper-Catalyzed Electrochemical Reduction

Journal: ACS Catal.

DOI: 10.1021/acscatal.3c02607

C1_Fungicide DOI: doi:10.19061/iochem-bd-6-169

C1_Fungicide

No other publication derived

C2_Fungicide

C2_Fungicide

No other publication derived

C3_Fungicide

C3_Fungicide

No other publication derived

C4_C8_Fungicide DOI: doi:10.19061/iochem-bd-6-174

C4_C8_Fungicide

No other publication derived

CaB6 and YbB6 hexaborides (CASSCF/MRCI) DOI: doi:10.19061/iochem-bd-6-146

CaB6 and YbB6 hexaborides (CASSCF/MRCI)

This dataset derived results are published in:

Manuscript title: Quantum chemical insights into hexaboride electronic structures: correlations within the boron p-orbital subsystem

DOI: 10.1038/s42005-022-00979-z

Carbonazidate_Initiated_Cascade_Reactions

Carbonazidate_Initiated_Cascade_Reactions

No other publication derived

Cargill_rearrangements DOI: doi:10.19061/iochem-bd-6-349

Cargill_rearrangements

No other publication derived

catalyst_evaluator DOI: doi:10.19061/iochem-bd-6-374

catalyst_evaluator

No other publication derived

CD-Scientific Report DOI: doi:10.19061/iochem-bd-6-124

CD

No other publication derived

CeO2_-_C2H4_oxychlorination DOI: doi:10.19061/iochem-bd-6-5

CeO2_-_C2H4_oxychlorination

This dataset derived results are published in:

Manuscript title: Mechanism of ethylene oxychlorination on ceria

Journal: ACS Catal.

DOI: doi:10.1021/acscatal.7b04431

ceria_reduction_many-electron_correlation DOI: doi:10.19061/iochem-bd-6-86

ceria_reduction_many-electron_correlation

No other publication derived

Cerium,Praseodymium,Neodymium DOI: doi:10.19061/iochem-bd-6-19

Cerium,Praseodymium,Neodymium

This dataset derived results are published in:

Manuscript title: Chemical evidence of the stability of praseodymium(V) in gas-phase oxide nitrate complexes

Journal: Chem. Commun.

DOI: 10.1039/C9CC08006F

CF_Bond_Formation

CF_Bond_Formation

No other publication derived

CHE233_Sym_Examples DOI: doi:10.19061/iochem-bd-6-184

CHE233_Sym_Examples

No other publication derived

Chem__Eur__J_ DOI: doi:10.19061/iochem-bd-6-70

Chem__Eur__J_

No other publication derived

Chiral_Proton_Organocatalysis DOI: doi:10.19061/iochem-bd-6-232

Chiral_Proton_Organocatalysis

No other publication derived

Chiroptically_active_1D_ultrathin_AuAg_nanostructures DOI: doi:10.19061/iochem-bd-6-114

Chiroptically_active_1D_ultrathin_AuAg_nanostructures

No other publication derived

Chromophore_dimers_via_designed_proteins DOI: doi:10.19061/iochem-bd-6-268

Chromophore_dimers_via_designed_proteins

No other publication derived

cis-trans

cis-trans

No other publication derived

Cl_effect_on_FUR_selectivity DOI: doi:10.19061/iochem-bd-6-129

Cl_effect_on_FUR_selectivity

No other publication derived

cleistantha-8,12-diene

cleistantha-8,12-diene

This dataset derived results are published in:

Manuscript title: Deceptive Complexity in Formation of Cleistantha-8,12-diene

Journal: Org. Lett.

DOI: 10.1021/acs.orglett.2c00680

CO DOI: doi:10.19061/iochem-bd-6-55

CO

No other publication derived

CO2 DOI: doi:10.19061/iochem-bd-6-52

CO2

No other publication derived

CO2 conversion to phenyl isocyanates by uranium(VI) bis(imido) complexes DOI: doi:10.19061/iochem-bd-6-21

Uranium_(VI)_CO2_activation

This dataset derived results are published in:

Manuscript title: CO2 conversion to phenyl isocyanates by uranium(VI) bis(imido) complexes

Journal: Chem. Commun.

DOI: 10.1039/C9CC07411B

CO2@ZrO2___CO2@Ca-ZrO2 DOI: doi:10.19061/iochem-bd-6-77

CO2@ZrO2___CO2@Ca-ZrO2

No other publication derived

CO2RR_using_imidazolium_modified_ZnSe_QDs DOI: doi:10.19061/iochem-bd-6-36

CO2RR_using_imidazolium_modified_ZnSe_QDs

This dataset derived results are published in:

Manuscript title: Imidazolium-modification enhances photocatalytic CO2 reduction on ZnSe quantum dots

DOI: 10.1039/D1SC01310F

CO_Au_CeO2 DOI: doi:10.19061/iochem-bd-6-138

CO_Au_CeO2

This dataset derived results are published in:

Manuscript title: Metal?Support Interaction and Charge Distribution in Ceria-Supported Au Particles Exposed to CO

Journal: Chem. Mater.

DOI: 10.1021/acs.chemmater.2c01659

Co_CH_functionalization DOI: doi:10.19061/iochem-bd-6-161

Co_CH_functionalization

No other publication derived

Co_ipso

Co_ipso

No other publication derived

Co_terp_silanes DOI: doi:10.19061/iochem-bd-6-125

Co_terp_silanes

No other publication derived

cod DOI: doi:10.19061/iochem-bd-6-56

cod

No other publication derived

Computation_of_31P_Chemical_Shifts_in_Polyoxotungstates_ DOI: doi:10.19061/iochem-bd-6-299

Computation_of_31P_Chemical_Shifts_in_Polyoxotungstates_

No other publication derived

Computational Data for Hard and Soft Electrons and Holes DOI: doi:10.19061/iochem-bd-6-328

This dataset derived results are published in:

Manuscript title: Hard and Soft Electrons and Holes

Journal: Chem

DOI: 10.1016/j.chempr.2024.06.013

COOH_and__OCHO_on_Metal_electrode DOI: doi:10.19061/iochem-bd-6-252

COOH_and__OCHO_on_Metal_electrode

No other publication derived

CoVFeFe

CoVFeFe

No other publication derived

Cr DOI: doi:10.19061/iochem-bd-6-313

Cr

No other publication derived

Cr_indenyl2 DOI: doi:10.19061/iochem-bd-6-90

Cr_indenyl2

No other publication derived

Creating_under_Coordinated_Dual-Atom_Sites_on_CeO2_for_CO2RR DOI: doi:10.19061/iochem-bd-6-301

Creating_under_Coordinated_Dual-Atom_Sites_on_CeO2_for_CO2RR

No other publication derived

Cu-Ce-UiO-67 DOI: doi:10.19061/iochem-bd-6-322

Cu-Ce-UiO-67

No other publication derived

Cu-CO2 DOI: doi:10.19061/iochem-bd-6-136

Cu-CO2

No other publication derived

Cu-O-P_acetylene_hydrochlorination DOI: doi:10.19061/iochem-bd-6-247

Cu-O-P_acetylene_hydrochlorination

No other publication derived

Cu/Pd-cocatalyzed four-component borocarbonylation DOI: doi:10.19061/iochem-bd-6-188

b3d3-calculations

No other publication derived

cubanes DOI: doi:10.19061/iochem-bd-6-153

cubanes

This dataset derived results are published in:

Manuscript title: Oxyl Character and Methane Hydroxylation Mechanism in Heterometallic M(O)Co3O4 Cubanes (M = Cr, Mn, Fe, Mo, Tc, Ru, and Rh)

Journal: ACS Catal.

DOI: 10.1021/acscatal.2c03748

CuO DOI: doi:10.19061/iochem-bd-6-230

CuO

This dataset derived results are published in:

Manuscript title: Kinetic and computational studies of CO oxidation and PROX on Cu/CeO2 nanospheres

D_Fungicide DOI: doi:10.19061/iochem-bd-6-207

D_Fungicide

No other publication derived

DA_Rh_carbenes

DA_Rh_carbenes

No other publication derived

Data_for__Deciphering Nitroaromatics Reduction:Theoretical Insights into DioxomolybdenumCatalysis with Biomass-Derived Pinacol DOI: doi:10.19061/iochem-bd-6-261

Supporting Data

This dataset derived results are published in:

Manuscript title: Deciphering Nitroaromatics Reduction:Theoretical Insights into DioxomolybdenumCatalysis with Biomass-Derived Pinacol

Journal: ChemCatChem

DOI: 10.1002/cctc.202301575

datacor

datacor

No other publication derived

DataCor-Dimers

DataCor-Dimers

No other publication derived

Dataset ? Untangling Cooperative Effects of Pyridinic and Graphitic Nitrogen Sites at Metal-Free N-Doped Carbon Electrocatalysts for the Oxygen Reduction Reaction DOI: doi:10.19061/iochem-bd-6-18

This dataset derived results are published in:

Manuscript title: Untangling Cooperative Effects of Pyridinic and Graphitic Nitrogen Sites at Metal-Free N-Doped Carbon Electrocatalysts for the Oxygen Reduction Reaction

DOI: 10.1002/smll.201902081

descroptor DOI: doi:10.19061/iochem-bd-6-263

descroptor

No other publication derived

DETA DOI: doi:10.19061/iochem-bd-6-382

DETA

No other publication derived

DFT Data: The Influence of Phosphorus Substituents on the Structures and Solution Speciation of Trivalent Uranium and Lanthanide Phosphinodiboranates

This dataset derived results are published in:

Manuscript title: The Influence of Phosphorus Substituents on the Structures and Solution Speciation of Trivalent Uranium and Lanthanide Phosphinodiboranates

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.3c02773

DFT_calculations

DFT_calculations

This dataset derived results are published in:

Manuscript title: DFT computational insight into Pd(0)-catalyzed oxidative cross-coupling of 1,2-allenyl ketones and aryl boronic acids: Pd(ii)-carbenoid intermediate versus ?-allyl-Pd(ii) intermediate

Journal: Catal. Sci. Technol.

DOI: 10.1039/d2cy01506d

DFT_data

DFT_data

This dataset derived results are published in:

Manuscript title: A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction

Journal: Nat. Commun.

DOI: 10.1038/s41467-022-33199-8

Dioxomolybdenum_catalyzed_nitrobenzyl_to_aniline_mechanism DOI: doi:10.19061/iochem-bd-6-198

Dioxomolybdenum_catalyzed_nitrobenzyl_to_aniline_mechanism

No other publication derived

DIPyPBu3_Adduct DOI: doi:10.19061/iochem-bd-6-266

DIPyPBu3_Adduct

This dataset derived results are published in:

Manuscript title: Tributyl(1-((dimethylamino)(dimethyliminio)methyl)-1,4-dihydropyridin-4-yl)phosphonium ditrifluoromethanesulfonate

DOI: 10.3390/M1710

dithiols_project DOI: doi:10.19061/iochem-bd-6-131

dithiols_project

This dataset derived results are published in:

Manuscript title: Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO2 reduction

Journal: Chemical Science Chem. Sci.

DOI: 10.1039/D2SC00890D

Droplet_Reactions_and_Ion_Soft-Landing DOI: doi:10.19061/iochem-bd-6-291

Droplet_Reactions_and_Ion_Soft-Landing

This dataset derived results are published in:

Manuscript title: Control of Intermediates and Products by Combining Droplet Reactions and Ion Soft-Landing

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.202314784

Drover_OA_Paper

Drover_OA_Paper

This dataset derived results are published in:

Manuscript title: Lewis Acid-Promoted Oxidative Addition at a [Ni0(diphosphine)2] Complex: The Critical Role of a Secondary Coordination Sphere

Journal: Chem. Eur. J.

DOI: 10.1002/chem.202103121

dy10-cluster DOI: doi:10.19061/iochem-bd-6-380

dy10-cluster

No other publication derived

Dyotropic_Rearrangement_Dioxabicyclo_4_2_1_nonanone DOI: doi:10.19061/iochem-bd-6-358

Dyotropic_Rearrangement_Dioxabicyclo_4_2_1_nonanone

No other publication derived

E_Fungicides DOI: doi:10.19061/iochem-bd-6-205

E_Fungicides

No other publication derived

EaOC_EeOC DOI: doi:10.19061/iochem-bd-6-16

EaOC_EeOC

This dataset derived results are published in:

Manuscript title: Mechanistic origin of the diverging selectivity patterns in catalyzed ethane and ethene oxychlorination

Journal: J. Catal.

Electrification_of_a_Milstein-type_Catalyst DOI: doi:10.19061/iochem-bd-6-117

Electrification_of_a_Milstein-type_Catalyst

This dataset derived results are published in:

Manuscript title: Electrification of a Milstein-type Catalyst for Alcohol Reformation

Journal: Chem. Sci.

DOI: 10.1039/D2SC04533H

Electro_CNRR DOI: doi:10.19061/iochem-bd-6-78

Electro_CNRR

This dataset derived results are published in:

Manuscript title: A computational study of the electrochemical cyanide reduction for ambient ammonia production on a nickel cathode†

Journal: Catal. Sci. Technol.

DOI: 10.1039/D1CY00820J

EMSI_Pt8_CeO2_111 DOI: doi:10.19061/iochem-bd-6-271

EMSI_Pt8_CeO2_111

This dataset derived results are published in:

Manuscript title: Systematic Characterization of Electronic Metal−Support Interactions in Ceria-Supported Pt Particles

Journal: J. Phys. Chem. C

DOI: 10.1021/acs.jpcc.3c03383

Enzyme_cycloaddition DOI: doi:10.19061/iochem-bd-6-269

Enzyme_cycloaddition

No other publication derived

enzyme_cycloaddition

enzyme_cycloaddition

No other publication derived

Ethane_oxyhalogenation_on_FePO4 DOI: doi:10.19061/iochem-bd-6-11

Ethane_oxyhalogenation_on_FePO4

This dataset derived results are published in:

Manuscript title: Halogen-Dependent Surface Confinement Governs Selective Alkane Functionalization to Olefins

Journal: Angew. Chem. Int. Ed.

EthylAcetate_IonChemistry DOI: doi:10.19061/iochem-bd-6-352

EthylAcetate_IonChemistry

This dataset derived results are published in:

Manuscript title: On the Arrival Time Distribution of Reacting Systems in Ion Mobility Spectrometry

Journal: Anal. Chem.

DOI: 10.1021/acs.analchem.4c02010

EtZnBr3_2- DOI: doi:10.19061/iochem-bd-6-385

EtZnBr3_2-

No other publication derived

Eunicellane-Derived_Diterpenes

Eunicellane-Derived_Diterpenes

No other publication derived

F_Fungicides DOI: doi:10.19061/iochem-bd-6-203

F_Fungicides

No other publication derived

Fe2_MOCs DOI: doi:10.19061/iochem-bd-6-376

Fe2_MOCs

No other publication derived

Fe_III_Ligand_Tuning DOI: doi:10.19061/iochem-bd-6-197

Fe_III_Ligand_Tuning

No other publication derived

FeMes-agostic DOI: doi:10.19061/iochem-bd-6-132

FeMes-agostic

This dataset derived results are published in:

Manuscript title: γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes

Journal: Chem. Commun.

DOI: 10.1039/D2CC03260K

Fulgides_Smart_Surfaces DOI: doi:10.19061/iochem-bd-6-368

Fulgides_Smart_Surfaces

No other publication derived

G02 DOI: doi:10.19061/iochem-bd-6-176

G02

No other publication derived

G1_insecticides DOI: doi:10.19061/iochem-bd-6-286

G1_insecticides

No other publication derived

G1_triazoles

G1_triazoles

No other publication derived

G2-G4_Fungicide DOI: doi:10.19061/iochem-bd-6-196

G2-G4_Fungicide

No other publication derived

G2_insecticides DOI: doi:10.19061/iochem-bd-6-288

G2_insecticides

No other publication derived

G4_insecticides

G4_insecticides

No other publication derived

G4_Monoterpenes

G4_Monoterpenes

No other publication derived

Gas_adsoprtion_WS2_ML

Gas_adsoprtion_WS2_ML

This dataset derived results are published in:

Manuscript title: Addressing the effects of gas adsorption on monolayers beyond charge population analysis: the case of WS2

DOI: 10.1038/s41524-024-01246-1

Generation_and_Reactivity_of_B12I8SCN DOI: doi:10.19061/iochem-bd-6-324

Generation_and_Reactivity_of_B12I8SCN

This dataset derived results are published in:

Manuscript title: Generation and reactivity of the fragment ion [B12I8S(CN)]− in the gas phase and on surfaces

Journal: Acc. Chem. Res.

DOI: 10.1039/D3AN02175K

Gold-scrambling-CCvsCI DOI: doi:10.19061/iochem-bd-6-193

Gold-scrambling-CCvsCI

This dataset derived results are published in:

Manuscript title: Intimate Relationship between C‒I Reductive Elimination, Aryl Scrambling and Isomerization Processes in Au(III) Complexes

Journal: Chem. Commun.

DOI: 10.1039/D2CC06415D

GreenPhos

GreenPhos

No other publication derived

Grotjahn_zipper_butene_rxn DOI: doi:10.19061/iochem-bd-6-319

Grotjahn_zipper_butene_rxn

This dataset derived results are published in:

Manuscript title: Origins of High Kinetic (E)-Selectivity in Alkene Isomerization by a CpRu(PN) Catalyst: a Combined Experimental and Computational Approach

Journal: ACS Catal.

DOI: 10.1021/acscatal.0c03497

Gu_2022_CoPc_rxn DOI: doi:10.19061/iochem-bd-6-229

Gu_2022_CoPc_rxn

No other publication derived

H2O DOI: doi:10.19061/iochem-bd-6-51

H2O

No other publication derived

H_Diffusion_in_nickel_oxy_hydroxide

H_Diffusion_in_nickel_oxy_hydroxide

No other publication derived

H_fungicide DOI: doi:10.19061/iochem-bd-6-210

H_fungicide

No other publication derived

Hafnium_oxo_clusters

Hafnium_oxo_clusters

No other publication derived

heavytunnel DOI: doi:10.19061/iochem-bd-6-347

heavytunnel

No other publication derived

HF@C60_and_(HF)2@C60 DOI: doi:10.19061/iochem-bd-6-181

HF@C60_and_(HF)2@C60

No other publication derived

HFIP_activation_paper DOI: doi:10.19061/iochem-bd-6-251

HFIP_activation_paper

No other publication derived

High-throughput_Analysis_of_Forsterite-Formaldehyde_Interactions DOI: doi:10.19061/iochem-bd-6-289

High-throughput_Analysis_of_Forsterite-Formaldehyde_Interactions

This dataset derived results are published in:

Manuscript title: Unlocking the surface chemistry of ionic minerals: a high-throughput pipeline for modeling realistic interfaces

Journal: J. Appl. Crystallogr.

DOI: 10.1107/S1600576724001286

High_entropy_alloy_quantum_dots_(HEA-QDs)

High_entropy_alloy_quantum_dots_(HEA-QDs)

No other publication derived

Higher-Order-2TT_Testset DOI: doi:10.19061/iochem-bd-6-119

Higher-Order-2TT_Testset

This dataset derived results are published in:

Manuscript title: Improved First-Principles Model of Differential Mobility using Higher-Order Two-Temperature Theory

Journal: J. Am. Soc. Mass. Spectrom.

DOI: 10.1021/jasms.1c00354

Highly_Selective_Hydrogenation_of_Amides_Catalysed_by_a DOI: doi:10.19061/iochem-bd-6-17

Highly_Selective_Hydrogenation_of_Amides_Catalysed_by_a

This dataset derived results are published in:

Manuscript title: Highly selective hydrogenation of amides catalysed by a molybdenum pincer complex: scope and mechanism

Journal: Chem. Sci.

DOI: 10.1039/c9sc03453f

HiKE_cluster_sizes DOI: doi:10.19061/iochem-bd-6-200

HiKE_cluster_sizes

This dataset derived results are published in:

Manuscript title: Validation of Field-Dependent Ion−Solvent Cluster Modeling via Direct Measurement of Cluster Size Distributions

Journal: J. Am. Soc. Mass. Spectrom.

DOI: 10.1021/jasms.3c00012

hmim_HSO4 DOI: doi:10.19061/iochem-bd-6-386

hmim_HSO4

No other publication derived

Homogeneous_Reforming_of_Aqueous_Ethylene_Glycol DOI: doi:10.19061/iochem-bd-6-66

Homogeneous_Reforming_of_Aqueous_Ethylene_Glycol

This dataset derived results are published in:

Manuscript title: Homogeneous Reforming of Aqueous Ethylene Glycol to Glycolic Acid and Pure Hydrogen Catalyzed by Pincer‐Ruthenium Complexes Capable of Metal‐Ligand Cooperation

DOI: 10.1002/chem.202005450

Hydrated_sulfate

Hydrated_sulfate

This dataset derived results are published in:

Manuscript title: Hydration of the sulfate dianion in cold nanodroplets: SO42−(H2O)12 and SO42−(H2O)13

Journal: PCCP

DOI: 10.1039/c5cp02557e

I_Fungicides DOI: doi:10.19061/iochem-bd-6-202

I_Fungicides

No other publication derived

indole_cyclopeptide DOI: doi:10.19061/iochem-bd-6-72

indole_cyclopeptide

No other publication derived

Influence_of_Cys_Concentration_on_Binding_Mode_of_CdSe_CdS_QDs DOI: doi:10.19061/iochem-bd-6-20

Influence_of_Cys_Concentration_on_Binding_Mode_of_CdSe_CdS_QDs

This dataset derived results are published in:

Manuscript title: Effect of chiral ligand concentration and binding mode on chiroptical activity of CdSe/CdS quantum dots

DOI: 10.1021/acsnano.9b07513

input_files_for_3_layer_IP DOI: doi:10.19061/iochem-bd-6-31

input_files_for_3_layer_IP

No other publication derived

iochem_ht_sub

iochem_ht_sub

No other publication derived

IP_files DOI: doi:10.19061/iochem-bd-6-29

IP_files

No other publication derived

Ipso_C-C_bond_functionalisation DOI: doi:10.19061/iochem-bd-6-143

Ipso_C-C_bond_functionalisation

No other publication derived

Ketoreduction_in_the_actACP_actKR_complex DOI: doi:10.19061/iochem-bd-6-101

Ketoreduction_in_the_actACP_actKR_complex

This dataset derived results are published in:

Manuscript title: Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail

DOI: 10.1021/jacsau.2c00086

KNbO3_epitaxial DOI: doi:10.19061/iochem-bd-6-22

KNbO3_epitaxial

No other publication derived

Li4EPc DOI: doi:10.19061/iochem-bd-6-104

Li4EPc

No other publication derived

Li4EPc_electride DOI: doi:10.19061/iochem-bd-6-105

Li4EPc_electride

No other publication derived

Li4EPc_ELECTRIDE

Li4EPc_ELECTRIDE

No other publication derived

li_calix3pyrrole DOI: doi:10.19061/iochem-bd-6-336

li_calix3pyrrole

This dataset derived results are published in:

Manuscript title: In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole

Journal: Chem. Eur. J.

DOI: 10.1002/chem.202400448

Li_NMR DOI: doi:10.19061/iochem-bd-6-148

Li_NMR

No other publication derived

LS DOI: doi:10.19061/iochem-bd-6-89

LS

No other publication derived

M06L_6-31G(d) DOI: doi:10.19061/iochem-bd-6-82

M06L_6-31G(d)

No other publication derived

M_Fungicides DOI: doi:10.19061/iochem-bd-6-222

M_Fungicides

No other publication derived

Mechanism_FC_in_TM_complexes DOI: doi:10.19061/iochem-bd-6-342

Mechanism_FC_in_TM_complexes

No other publication derived

Merging_Electronics_with_Reactivity DOI: doi:10.19061/iochem-bd-6-139

Merging_Electronics_with_Reactivity

No other publication derived

Metallo-Organic_Electride_Li4EPc DOI: doi:10.19061/iochem-bd-6-107

Metallo-Organic_Electride_Li4EPc

No other publication derived

MinisciBP1 DOI: doi:10.19061/iochem-bd-6-156

MinisciBP1

No other publication derived

ML_to_GVL_on_UiO66 DOI: doi:10.19061/iochem-bd-6-116

ML_to_GVL_on_UiO66

No other publication derived

Mn_Macrocyclic_Complexes DOI: doi:10.19061/iochem-bd-6-192

Mn_Macrocyclic_Complexes

This dataset derived results are published in:

Manuscript title: Exploring the Parameters Controlling Product Selectivity in Electrochemical CO2 Reduction in Competition with Hydrogen Evolution Employing Manganese Bipyridine Complexes

Journal: ACS Catal.

DOI: 10.1021/acscatal.2c05951

Mo3S4_benchmark_2020 DOI: doi:10.19061/iochem-bd-6-34

Mo3S4_benchmark_2020

No other publication derived

MobCal-MPI

MobCal-MPI

This dataset derived results are published in:

Manuscript title: MobCal-MPI 2.0: An Accurate and Parallelized Package for Calculating Field-Dependent Collision Cross Sections and Ion Mobilities

DOI: 10.1039/D3AN00545C

monobenzopentalenes

monobenzopentalenes

This dataset derived results are published in:

Manuscript title: An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes

DOI: 10.1002/cphc.202300737

MoS2 DOI: doi:10.19061/iochem-bd-6-13

MoS2

No other publication derived

Na_mediated_cobaltallation DOI: doi:10.19061/iochem-bd-6-317

Na_mediated_cobaltallation

No other publication derived

Na_mediated_ferration DOI: doi:10.19061/iochem-bd-6-91

Na_mediated_ferration

This dataset derived results are published in:

Manuscript title: Facilitating Ferration of Aromatic Substrates Through Intramolecular Sodium Mediation

NaCo_bimetallic_species_and_square_planar_complexes DOI: doi:10.19061/iochem-bd-6-234

NaCo_bimetallic_species_and_square_planar_complexes

No other publication derived

NaHCO3 DOI: doi:10.19061/iochem-bd-6-54

NaHCO3

No other publication derived

Neo-functionalized_quinoa_2,3-oxidosqualene_cyclases DOI: doi:10.19061/iochem-bd-6-195

Neo-functionalized_quinoa_2,3-oxidosqualene_cyclases

No other publication derived

NHCSe_diazo DOI: doi:10.19061/iochem-bd-6-389

NHCSe_diazo

This dataset derived results are published in:

Manuscript title: Modular Synthesis of Azines Bearing a Guanidine Core from N-Heterocyclic Carbene (NHC)-Derived Selenoureas and Diazo Reagents

Journal: Chem. Eur. J.

DOI: 10.1002/chem.202401816

Ni-disubstituted sandwich Keggin dimer for CO2 photoreduction DOI: doi:10.19061/iochem-bd-6-293

Photocatalytic CO2 reduction by Ni-Keggin using Rubpy3 as photosensityzer and TEOA as electron sacrifitial donnor

This dataset derived results are published in:

Manuscript title: Photocatalytic CO2 reduction by Ni-substituted polyoxometalates: structure-activity relationships and mechanistic insights

Journal: Appl. Catal., B

DOI: 10.1016/j.apcatb.2023.123681

Ni-halides DOI: doi:10.19061/iochem-bd-6-189

Ni-halides

This dataset derived results are published in:

Manuscript title: Solid-state 19F NMR chemical shift in square-planar nickel-fluoride complexes linked by halogen bonds

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.2c04063

Nickel_Pyridine DOI: doi:10.19061/iochem-bd-6-112

Nickel_Pyridine

This dataset derived results are published in:

Manuscript title: Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles

Journal: Chemical Science Chem. Sci.

DOI: 10.1039/D1SC04582B

NiOOH DOI: doi:10.19061/iochem-bd-6-33

NiOOH

No other publication derived

Nitrate_Add DOI: doi:10.19061/iochem-bd-6-306

Nitrate_Add

This dataset derived results are published in:

Manuscript title: NO3- Loss From Nitrate Adducts of Explosives by Thermal Decomposition in Tandem Ion Mobility Spectrometry And by Collision Induced Dissociation in Tandem Mass Spectrometry

Journal: Int. J. Mass spectrom.

DOI: 10.1016/j.ijms.2024.117235

nitrate_reduction

nitrate_reduction

No other publication derived

Nitrite reduction by copper(II) complex DOI: doi:10.19061/iochem-bd-6-255

nitrite-red

No other publication derived

Nitrite_reduction DOI: doi:10.19061/iochem-bd-6-97

Nitrite_reduction

This dataset derived results are published in:

Manuscript title: Secondary Coordination Sphere Influences the Formation of Fe(III)‑O or Fe(III)-OH in Nitrite Reduction: A Synthetic and Computational Study

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.2c00462

Nitrobenzyl_to_aniline_reduction_mechanism DOI: doi:10.19061/iochem-bd-6-204

Nitrobenzyl_to_aniline_reduction_mechanism

No other publication derived

NNPP-DTC_Peters

NNPP-DTC_Peters

No other publication derived

NOER DOI: doi:10.19061/iochem-bd-6-41

NOER

No other publication derived

O_-MoO3-x DOI: doi:10.19061/iochem-bd-6-307

O_-MoO3-x

No other publication derived

On_Stereocontrol_in_Enantioselective_alpha-Chlorinations DOI: doi:10.19061/iochem-bd-6-83

On_Stereocontrol_in_Enantioselective_alpha-Chlorinations

No other publication derived

Organo-Zirconium_alkane_hydrogenolysis

Organo-Zirconium_alkane_hydrogenolysis

No other publication derived

Oxidized_Ag_Nanoparticles DOI: doi:10.19061/iochem-bd-6-296

Oxidized_Ag_Nanoparticles

No other publication derived

Oxo-carbonate_aminolysis DOI: doi:10.19061/iochem-bd-6-133

Oxo-carbonate_aminolysis

No other publication derived

Oxydifluoromethylation DOI: doi:10.19061/iochem-bd-6-282

Oxydifluoromethylation

No other publication derived

P07_List

P07_List

No other publication derived

P08_PdAllyl DOI: doi:10.19061/iochem-bd-6-277

P08_PdAllyl

No other publication derived

P8_Fungicide DOI: doi:10.19061/iochem-bd-6-215

P8_Fungicide

No other publication derived

P_Fungicide DOI: doi:10.19061/iochem-bd-6-206

P_Fungicide

No other publication derived

PAH-dehydrogenated DOI: doi:10.19061/iochem-bd-6-387

PAH-dehydrogenated

No other publication derived

Pd_Anullation_Nmethoxy_Amides DOI: doi:10.19061/iochem-bd-6-343

Pd_Anullation_Nmethoxy_Amides

No other publication derived

Pd_chiral_C-H DOI: doi:10.19061/iochem-bd-6-155

Pd_chiral_C-H

No other publication derived

Pd_radicals_dataset_final DOI: doi:10.19061/iochem-bd-6-281

Pd_radicals_dataset_final

This dataset derived results are published in:

Manuscript title: A Hierarchy of Ligands Controls Formation and Reaction of Aryl Radicals in Pd-Catalyzed Ground State Base-Promoted Coupling Reactions

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.3c05470

PeriMech DOI: doi:10.19061/iochem-bd-6-310

PeriMech

No other publication derived

periselectivity DOI: doi:10.19061/iochem-bd-6-191

periselectivity

No other publication derived

PhCO2Na DOI: doi:10.19061/iochem-bd-6-64

PhCO2Na

No other publication derived

pKa_of_dihydrogen_complexes DOI: doi:10.19061/iochem-bd-6-95

pKa_of_dihydrogen_complexes

This dataset derived results are published in:

Manuscript title: How acid can become a dihydrogen complex in water? A DFT study

Journal: J. Organomet. Chem.

DOI: 10.1016/j.jorganchem.2021.121957

Polycyclic_Skeletal_Diversity

Polycyclic_Skeletal_Diversity

No other publication derived

POM-RhCp_-UiO67 DOI: doi:10.19061/iochem-bd-6-128

POM-RhCp_-UiO67

No other publication derived

POM_geometry_optimisations DOI: doi:10.19061/iochem-bd-6-298

POM_geometry_optimisations

No other publication derived

POMzites DOI: doi:10.19061/iochem-bd-6-256

POMzites

This dataset derived results are published in:

Manuscript title: Computational Study into the Effects of Countercations on the [P8W48O184]40? Polyoxometalate Wheel

DOI: 10.1021/acsorginorgau.3c00014

Predicting_Ruthenium_Catalysed_Hydrogenation_Machine_Learning DOI: doi:10.19061/iochem-bd-6-118

Predicting_Ruthenium_Catalysed_Hydrogenation_Machine_Learning

No other publication derived

Preferential_Solvation_DMS DOI: doi:10.19061/iochem-bd-6-223

Preferential_Solvation_DMS

This dataset derived results are published in:

Manuscript title: First-Principles Modeling of Preferential Solvation in Mixed-Modifier Differential Mobility Spectrometry

Journal: J. Am. Soc. Mass. Spectrom.

DOI: 10.1021/jasms.3c00117

Protein_redesign_for_light_harvesting DOI: doi:10.19061/iochem-bd-1-240

Protein_redesign_for_light_harvesting

This dataset derived results are published in:

Manuscript title: Engineering Excitonically-Coupled Dimers in an Artificial Protein for Light Harvesting via Computational Modelling

Journal: Protein Sci.

DOI: 10.1002/pro.4579

protonated_adenine_fragmentation

protonated_adenine_fragmentation

This dataset derived results are published in:

Manuscript title: UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine

Journal: PCCP

DOI: 10.1039/D1CP02688G

Pt-single-atom-POMs DOI: doi:10.19061/iochem-bd-6-76

Pt-single-atom-POMs

No other publication derived

PT3_g-tensors DOI: doi:10.19061/iochem-bd-6-194

PT3_g-tensors

No other publication derived

PtNiZr_trimetallic_NP DOI: doi:10.19061/iochem-bd-6-325

PtNiZr_trimetallic_NP

No other publication derived

PtOx_ceria_PtOx_FS DOI: doi:10.19061/iochem-bd-6-145

PtOx_ceria_PtOx_FS

This dataset derived results are published in:

Manuscript title: Stability of oxidized states of freestanding and ceria-supported PtOx particles

Journal: J. Chem. Phys.

DOI: 10.1063/5.0099927

PtW6-HER

PtW6-HER

No other publication derived

PtW6-HER-data DOI: doi:10.19061/iochem-bd-6-26

PtW6-HER-data

No other publication derived

PubChemDFT

PubChemDFT

No other publication derived

pyrone_5+2_cycloaddition DOI: doi:10.19061/iochem-bd-6-187

pyrone_5+2_cycloaddition

No other publication derived

Rational_Design_of_Co_Catalysts_for_the_Deaminative_Hydrogenat DOI: doi:10.19061/iochem-bd-6-14

Rational_Design_of_Co_Catalysts_for_the_Deaminative_Hydrogenat

This dataset derived results are published in:

Manuscript title: Rational selection of co-catalysts for the deaminative hydrogenation of amides

Journal: Chem. Sci.

DOI: 10.1039/c9sc03812d

Reducing_Systematic_Uncertainty_in_Computed_Redox_Potentials DOI: doi:10.19061/iochem-bd-6-254

Reducing_Systematic_Uncertainty_in_Computed_Redox_Potentials

This dataset derived results are published in:

Manuscript title: Reducing Systematic Uncertainty in Computed Redox Potentials for Aqueous Transition-Metal-Substituted Polyoxotungstates

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.3c01115

Revisiting Hafner?s Azapentalenes DOI: doi:10.19061/iochem-bd-6-284

Some Old and New Chemistry of 1,3-Bis(dimethylamino)-2-azapentalene

No other publication derived

Rh_CHCR DOI: doi:10.19061/iochem-bd-6-330

Rh_CHCR

No other publication derived

Rh_lactonization_PTSB DOI: doi:10.19061/iochem-bd-6-151

Rh_lactonization_PTSB

This dataset derived results are published in:

Manuscript title: C ? H Insertion in Dirhodium Tetracarboxylate-Catalyzed Reactions despite Dynamical Tendencies toward Fragmentation: Implications for Reaction Efficiency and Catalyst Design

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.2c07681

Rh_solvent DOI: doi:10.19061/iochem-bd-6-111

Rh_solvent

This dataset derived results are published in:

Manuscript title: Effects of Axial Solvent Coordination to Dirhodium Complexes on the Reactivity and Selectivity in C?H Insertion Reactions: A Computational Study

Journal: Organometallics

DOI: 10.1021/acs.organomet.1c00574

Rh_Stay_or_Go DOI: doi:10.19061/iochem-bd-6-68

Rh_Stay_or_Go

This dataset derived results are published in:

Manuscript title: Metal Bound or Free Ylides as Reaction Intermediates in Metal-Catalyzed [2,3]-Sigmatropic Rearrangements? It Depends

Journal: ACS Catal.

DOI: 10.1021/acscatal.0c04768

RhCH DOI: doi:10.19061/iochem-bd-6-361

RhCH

No other publication derived

RhcodCO3H DOI: doi:10.19061/iochem-bd-6-43

RhcodCO3H

No other publication derived

RhCp-IL DOI: doi:10.19061/iochem-bd-6-109

RhCp-IL

No other publication derived

Ricardo_Garcia

Ricardo_Garcia

This dataset derived results are published in:

Manuscript title: Differences in solvation thermodynamics of oxygenates at Pt/Al2O3 perimeter versus Pt(111) terrace sites

RSSH_RSNO DOI: doi:10.19061/iochem-bd-6-130

RSSH_RSNO

No other publication derived

Ru_CD DOI: doi:10.19061/iochem-bd-6-157

Ru_CD

No other publication derived

Ru_cyclopropanol

Ru_cyclopropanol

No other publication derived

Ru_Keppler_versus_NAMI DOI: doi:10.19061/iochem-bd-6-171

Ru_Keppler_versus_NAMI

No other publication derived

RuC_design DOI: doi:10.19061/iochem-bd-6-292

RuC_design

This dataset derived results are published in:

Manuscript title: Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion

DOI: 10.1021/acs.jcim.3c01649

Secondary_structures_discovery DOI: doi:10.19061/iochem-bd-6-339

Secondary_structures_discovery

No other publication derived

SF5_SF4CF3_Staffane DOI: doi:10.19061/iochem-bd-6-384

SF5_SF4CF3_Staffane

No other publication derived

Shape control in concave metal nanoparticles by etching

The Pt surfaces with different HCl coverage.

This dataset derived results are published in:

Manuscript title: Shape control in concave metal nanoparticles by etching

Journal: Nanoscale

DOI: 10.1039/c7nr03889e

SI DOI: doi:10.19061/iochem-bd-6-309

SI

No other publication derived

sifsix-3-zn DOI: doi:10.19061/iochem-bd-6-180

sifsix-3-zn

This dataset derived results are published in:

Manuscript title: Early-Stage Formation of the SIFSIX-3-Zn Metal–Organic Framework: An Automated Computational Study

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.2c03681

silyloxypyrone_5+2

silyloxypyrone_5+2

This dataset derived results are published in:

Manuscript title: Experimental and Theoretical Investigation of the Synchronicity of Ambident Silyloxypyrone-Based (5 + 2) Cycloadditions

Journal: J. Org. Chem.

DOI: 10.1021/acs.joc.3c00318

Sohl_2023_IDH1 DOI: doi:10.19061/iochem-bd-6-320

Sohl_2023_IDH1

No other publication derived

Solvation DOI: doi:10.19061/iochem-bd-6-312

Solvation

This dataset derived results are published in:

Manuscript title: Solvation effects in the electrochemical reduction of hydrogen cyanide for ambient ammonia production on a Ni cathode

Journal: Catal. Sci. Technol.

DOI: 10.1039/D3CY01333B

stereochem_Rh_carbenes DOI: doi:10.19061/iochem-bd-6-94

stereochem_Rh_carbenes

This dataset derived results are published in:

Manuscript title: Divergent Stereochemical Outcomes in the Insertion of Donor/Donor Carbenes into the C?H Bonds of Stereogenic Centers

DOI: 10.33774/chemrxiv-2021-h06nc

Stereodivergent_Zweifel_Olefination DOI: doi:10.19061/iochem-bd-6-172

Stereodivergent_Zweifel_Olefination

No other publication derived

Stereoselectivity_in_actKR_variants

Stereoselectivity_in_actKR_variants

This dataset derived results are published in:

Manuscript title: Unpicking the cause of stereoselectivity in actinorhodin ketoreductase variants with atomistic simulations

Journal: ACS Catal.

Stille_PdSn DOI: doi:10.19061/iochem-bd-6-102

Stille_PdSn

This dataset derived results are published in:

Manuscript title: The Problematic ArFAlkynyl Coupling with Fluorinated Aryls. From Partial Success with Alkynyl Stannanes to Efficient Solutions, via Mechanistic Understanding of the Hidden Complexity

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.2c10842

Strategic_Surrogate_ DOI: doi:10.19061/iochem-bd-6-134

Strategic_Surrogate_

No other publication derived

Styrene_Aziridination_with_Copper_Catalysts DOI: doi:10.19061/iochem-bd-6-84

Styrene_Aziridination_with_Copper_Catalysts

No other publication derived

Substituted Ferrocenes

Substituted Ferrocenes

This dataset derived results are published in:

Manuscript title: Benchmarking DFT Calculations of 1H and 13C Chemical Shifts in Monosubstituted Ferrocenes

Journal: Int. J. Quantum Chem

DOI: 10.1002/qua.26456

Sulfonylureas

Sulfonylureas

No other publication derived

Sulfonylureas_deprotonated DOI: doi:10.19061/iochem-bd-6-316

Sulfonylureas_deprotonated

No other publication derived

t7h_bis DOI: doi:10.19061/iochem-bd-6-285

t7h_bis

No other publication derived

t7h_def DOI: doi:10.19061/iochem-bd-6-208

t7h_def

This dataset derived results are published in:

Manuscript title: Overcrowded Triply Fused Carbo[7]helicene

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.3c05415

TB DOI: doi:10.19061/iochem-bd-6-150

TB

No other publication derived

Tellurium_C-F_Formal_Reductive_Elimination

Tellurium_C-F_Formal_Reductive_Elimination

No other publication derived

TEMPOH DOI: doi:10.19061/iochem-bd-6-383

TEMPOH

No other publication derived

test DOI: doi:10.19061/iochem-bd-6-190

test

No other publication derived

TFG-AlbaMiguelCrespo-Dyes DOI: doi:10.19061/iochem-bd-6-372

TFG-AlbaMiguelCrespo-Dyes

No other publication derived

TFG-AlbaMiguelCrespo-VSEPR DOI: doi:10.19061/iochem-bd-6-373

TFG-AlbaMiguelCrespo-VSEPR

No other publication derived

THC_Separation DOI: doi:10.19061/iochem-bd-6-225

THC_Separation

No other publication derived

Through_Bond_azabicyclononanes DOI: doi:10.19061/iochem-bd-6-120

Through_Bond_azabicyclononanes

This dataset derived results are published in:

Manuscript title: The Role of Through-Bond Stereoelectronic Effects in the Reactivity of 3-Azabicyclo[3.3.1]nonanes

Journal: J. Org. Chem.

DOI: 10.1021/acs.joc.1c02992

Ti_DOTA DOI: doi:10.19061/iochem-bd-6-344

Ti_DOTA

No other publication derived

Tripeptides_MassSpec

Tripeptides_MassSpec

No other publication derived

triplet_energies_nitrogen_radical_precursors DOI: doi:10.19061/iochem-bd-6-177

triplet_energies_nitrogen_radical_precursors

This dataset derived results are published in:

Manuscript title: Energy Transfer-Enabled Unsymmetrical Diamination Using Bifunctional Nitrogen-Radical Precursors

Journal: Nature Catalysis

Truncated DOI: doi:10.19061/iochem-bd-6-311

Truncated

No other publication derived

TS13a DOI: doi:10.19061/iochem-bd-6-65

TS13a

No other publication derived

TS2a DOI: doi:10.19061/iochem-bd-6-53

TS2a

No other publication derived

TS2f DOI: doi:10.19061/iochem-bd-6-42

TS2f

No other publication derived

TS5a DOI: doi:10.19061/iochem-bd-6-48

TS5a

No other publication derived

TS6a DOI: doi:10.19061/iochem-bd-6-46

TS6a

No other publication derived

TS7a DOI: doi:10.19061/iochem-bd-6-61

TS7a

No other publication derived

TS7b DOI: doi:10.19061/iochem-bd-6-60

TS7b

No other publication derived

Tsuji-Trost_Asymmetric_Alkylation DOI: doi:10.19061/iochem-bd-6-331

Tsuji-Trost_Asymmetric_Alkylation

No other publication derived

UiO-66_DFs DOI: doi:10.19061/iochem-bd-6-305

UiO-66_DFs

This dataset derived results are published in:

Manuscript title: Combined DFT and Kinetic Monte Carlo Study of UiO-66 Catalysts for γ-Valerolactone Production

Universal Scaling Relationships for the Rational Design of Molecular Water Oxidation Catalysts with Near-Zero Overpotential

Calculations associated with the manuscript.

This dataset derived results are published in:

Manuscript title: Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential

Journal: Nat. Commun.

DOI: 10.1038/s41467-019-12994-w

unknown_Fungicides DOI: doi:10.19061/iochem-bd-6-216

unknown_Fungicides

No other publication derived

unknown_herbicides

unknown_herbicides

No other publication derived

unsupported-uranium-arene DOI: doi:10.19061/iochem-bd-6-321

unsupported-uranium-arene

This dataset derived results are published in:

Manuscript title: What is the nature of the uranium(iii)–arene bond?

Journal: Chem. Sci.

DOI: 10.1039/D3SC04715F

Vanadyl_and_Uranyl_Complexes DOI: doi:10.19061/iochem-bd-6-294

Vanadyl_and_Uranyl_Complexes

This dataset derived results are published in:

Manuscript title: Design and Modulation of Selectivity toward Vanadium(V) and Uranium(VI) Ions: Coordination Properties and Affinity of Hydroxylamino-Triazine Siderophores

Journal: Inorg. Chem.

DOI: 10.1021/acs.inorgchem.3c02678

Vanillin_benchmark DOI: doi:10.19061/iochem-bd-6-283

Vanillin_benchmark

No other publication derived

Venkata_Rohit_Punyapu DOI: doi:10.19061/iochem-bd-6-297

Venkata_Rohit_Punyapu

This dataset derived results are published in:

Manuscript title: Computational Exploration of Magnetic Saturation and Anisotropy Energy for Nonstoichiometric Ferrite Compositions

Journal: Phys. Rev. B: Condens. Matter

X-Ray_SX_STM DOI: doi:10.19061/iochem-bd-6-165

X-Ray_SX_STM

No other publication derived

zipped_input_3_layer_IP DOI: doi:10.19061/iochem-bd-6-32

zipped_input_3_layer_IP

No other publication derived

Zr6-cluster DOI: doi:10.19061/iochem-bd-6-302

Zr6-cluster

This dataset derived results are published in:

Manuscript title: Zr-Based MOF-545 Metal–Organic Framework Loaded with Highly Dispersed Small Size Ni Nanoparticles for CO2 Methanation

Journal: ACS Appl. Mater. Interfaces

DOI: 10.1021/acsami.3c18154

ZrMOP-NH2-PCET DOI: doi:10.19061/iochem-bd-6-364

ZrMOP-NH2-PCET

No other publication derived

ZrMOP-POM DOI: doi:10.19061/iochem-bd-6-360

ZrMOP-POM

No other publication derived

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