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transition metal

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8 results in Keywords: transition metal

Theoretical and Computational Chemistry

Working Paper

The tmQM Dataset - Quantum Geometries and Properties of 86k Transition Metal Complexes

David Balcells, Bastian Bjerkem Skjelstad

Version 1 posted 31 August 2020

647

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Inorganic Chemistry

Working Paper

A Free Aluminylene with Diverse σ-Donating and Doubly σ/π-Accepting Ligand Features for Transition Metals

Xin Zhang, Liu Leo Liu

Version 2 posted 27 September 2021

764

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Inorganic Chemistry

Working Paper

Can fluorine form triple bonds?

Julian M. Kleber

Version 2 posted 25 February 2022

558

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Inorganic Chemistry

Working Paper

A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

Shannon Houck, Nicholas Mayhall

Version 1 posted 11 December 2018

871

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Inorganic Chemistry

Working Paper

Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation

Richard Kong, Maria Batuecas, Mark Crimmin

Version 1 posted 01 September 2021

684

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Organic Chemistry

Working Paper

Enantioselective Transition-Metal Catalysis via Anion Binding with Chiral Hydrogen-Bond Donors

Eric N. Jacobsen, John M. Ovian, Petra Vojackova

Version 1 posted 04 August 2022

1,732

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Theoretical and Computational Chemistry

Working Paper

On the Performances of Density Functionals for Open Shell First-Row Transition Metal Compounds

Yumiao Ma

Version 2 posted 26 February 2020

1,358

Downloads

Inorganic Chemistry

Working Paper

Bond Valence Sum: A Powerful Tool for Determination of Oxidation States of Metal Ions in Coordination Compounds

Tu Nguyen

Version 1 posted 19 May 2020

2,835

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8 results in transition metal in Keywords: transition metal

The tmQM Dataset - Quantum Geometries and Properties of 86k Transition Metal Complexes

A Free Aluminylene with Diverse σ-Donating and Doubly σ/π-Accepting Ligand Features for Transition Metals

Can fluorine form triple bonds?

A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation

Enantioselective Transition-Metal Catalysis via Anion Binding with Chiral Hydrogen-Bond Donors

On the Performances of Density Functionals for Open Shell First-Row Transition Metal Compounds

Bond Valence Sum: A Powerful Tool for Determination of Oxidation States of Metal Ions in Coordination Compounds

8 results in Keywords: transition metal