Search

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

883

Downloads

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

829

Downloads

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

670

Downloads

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

1,484

Downloads

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

713

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

3,660

Downloads

1

Citations

Inorganic Chemistry

Working Paper

Can fluorine form triple bonds?

Julian M. Kleber

Version 2 posted 25 February 2022

689

Downloads

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

67

Downloads

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

1,812

Downloads

Physical Chemistry

Working Paper

Real-space Observation of a Transition Metal Complex Dissociation and Energy Redistribution

Aviad Schori, Elisa Biasin, Ambar Banerjee, Sébastien Boutet, Philip H. Bucksbaum, Sergio Carbajo, Kelly J. Gaffney, James Glownia, Robert Hartsock, Kathryn Ledbetter, Andreas Kaldun, Jason E. Koglin, Kristjan Kunnus, Thomas J. Lane, Mengning Liang, Michael P. Minitti, Jordan T. O’Neal, Robert M. Parrish, Frederic Poitevin, Jennifer M. Ruddock, Silke Nelson, Brian Stankus, Peter M. Weber, Thomas J.A. Wolf, Michael Odelius, Adi Natan

Version 1 posted 29 August 2024

221

Downloads

Refine Search

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

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

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

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

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

Can fluorine form triple bonds?

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

Real-space Observation of a Transition Metal Complex Dissociation and Energy Redistribution

11 results in Keywords: Transition Metal