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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

892

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Inorganic Chemistry

Working Paper

Can fluorine form triple bonds?

Julian M. Kleber

Version 2 posted 25 February 2022

752

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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

683

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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

1,527

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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

3,979

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1

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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

868

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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

727

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Catalysis

Working Paper

Oxidative CO2 dehydrogenation of butane on microspherical zeolite-containing composites based on kaolin

Olexandra Pertko, Yuliya Voloshyna, Lyubov Patrylak, Angela Yakovenko

Version 1 posted 20 May 2024

87

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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

1,832

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Catalysis

Working Paper

External Photosensitizer Free Function-Integrated Cu(II)-Complex Catalyzed Photo Driven CO2 Reduction

Soumadip Das, Aritra Roy, Navonil Chakrabarti, Narottam Mukhopadhyay, Aniruddha Sarkar, Sayam Sen Gupta

Version 1 posted 02 September 2024

264

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11 results in Transition Metal in Keywords: Transition Metal

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

Can fluorine form triple bonds?

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

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

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

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

Oxidative CO2 dehydrogenation of butane on microspherical zeolite-containing composites based on kaolin

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

External Photosensitizer Free Function-Integrated Cu(II)-Complex Catalyzed Photo Driven CO2 Reduction

11 results in Keywords: Transition Metal