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2019_Rh_Bisallene_Ene

This dataset derived results are published in:

Manuscript title: A Rh-Catalyzed Cycloisomerization/Diels?Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles

Journal: Org. Lett.

C60_OPENCAGE

C60_OPENCAGE

This dataset derived results are published in:

Manuscript title: Expeditious Preparation of Open‐Cage Fullerenes by Rhodium(I)‐Catalyzed [2+2+2] Cycloaddition of Diynes and C60: An Experimental and Theoretical Study.

Journal: Chem. Eur. J.

DOI: 10.1002/chem.201802298

C68_DIELS DOI: doi:10.19061/iochem-bd-4-9

C68_DIELS

This dataset derived results are published in:

Manuscript title: Regioselectivity in Diels–Alder Cycloadditions of #6094C68 Fullerene with a Triplet Ground State

Journal: J. Org. Chem.

DOI: 10.1021/acs.joc.9b00921

Cu_enolate_benchmark

Cu_enolate_benchmark

No other publication derived

dmrg

dmrg

No other publication derived

fdhdg

fdhdg

No other publication derived

Fe-hARD DOI: doi:10.19061/iochem-bd-4-6

Fe-hARD

This dataset derived results are published in:

Manuscript title: On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase

Journal: Chem. Eur. J.

Fe-hARD_Mossbauer DOI: doi:10.19061/iochem-bd-4-4

Fe-hARD_Mossbauer

This dataset derived results are published in:

Manuscript title: On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase

Journal: Chem. Eur. J.

Flexible_Cavitand

Flexible_Cavitand

This dataset derived results are published in:

Manuscript title: A flexible self-folding receptor for coronene

DOI: 10.1039/C9SC03158H

FtmF DOI: doi:10.19061/iochem-bd-4-8

FtmF

This dataset derived results are published in:

Manuscript title: On the reaction mechanism of an endoperoxide ring formation by fumitremorgin B endoperoxidase. The right arrangement makes a difference.

Journal: J. Chem. Soc., Dalton Trans.

DOI: 10.1039/C9DT02581B

JCMSE2010

JCMSE2010

This dataset derived results are published in:

Manuscript title: The minimum polarizability principle for spin states

DOI: 10.3233/jcm-2010-0347

Metallocenes__Rotating_iron_and_titanium_sandwich_complexes DOI: doi:10.19061/iochem-bd-4-12

Metallocenes__Rotating_iron_and_titanium_sandwich_complexes

No other publication derived

Metallocenes_Rotating_iron_and_titanium_sandwich_complexes DOI: doi:10.19061/iochem-bd-4-11

Metallocenes_Rotating_iron_and_titanium_sandwich_complexes

No other publication derived

Ni-hARD_reaction DOI: doi:10.19061/iochem-bd-4-5

Ni-hARD_reaction

This dataset derived results are published in:

Manuscript title: On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase

Journal: Chem. Eur. J.

Oxoiron DOI: doi:10.19061/iochem-bd-4-10

DFT optimized ground state geometries of 14 investigated Oxoiron complexes

This dataset derived results are published in:

Manuscript title: Density functional approximations for consistent spin and oxidation states of oxoiron complexes

Journal: Int. J. Quantum Chem

test

test

No other publication derived

TEST

TEST

No other publication derived

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