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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

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

3_layer_IP

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

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

CoVFeFe

CoVFeFe

No other publication derived

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

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.

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.

G4_Monoterpenes

G4_Monoterpenes

No other publication derived

H_Diffusion_in_nickel_oxy_hydroxide

H_Diffusion_in_nickel_oxy_hydroxide

No other publication derived

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

Highly_Selective_Hydrogenation_of_Amides_Catalysed_by_a

No other publication derived

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

input_files_for_3_layer_IP

No other publication derived

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

IP_files

No other publication derived

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

KNbO3_epitaxial

No other publication derived

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

MoS2

No other publication derived

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

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

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.

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

zipped_input_3_layer_IP

No other publication derived

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