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Theoretical and Computational Chemistry

Working Paper

Density Functional Approximations for Consistent Spin and Oxidation States of Oxoiron Complexes

Filip Vlahovic, Maja Gruden, Stepan Stepanović, Marcel Swart

Version 1 posted 22 July 2019

845

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Chemical Education

Working Paper

La Chimie en Couleurs: Socially-Relevant and Original Research in Chemistry at High-Schools Using Modest Resources

Thibaud Rossel, Marc Creus

Version 1 posted 29 November 2018

682

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Theoretical and Computational Chemistry

Working Paper

Enumeration of de novo Inorganic Complexes for Chemical Discovery and Machine Learning

Stefan Gugler, Jon Paul Janet, Heather Kulik

Version 1 posted 17 June 2019

706

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Inorganic Chemistry

Working Paper

Multiple Bonds in Novel Uranium-Transition Metal Complexes

Prachi Sharma, Dale Pahls, Bianca Ramirez, Connie C. Lu, Laura Gagliardi

Version 1 posted 06 June 2019

993

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Inorganic Chemistry

Working Paper

Integrated Experimental-Theoretical Approach to Determine Reliable Molecular Reaction Mechanisms on Transition Metal Oxide Surfaces

Nickolas Ashburn, yongping zheng, Sampreetha Thampy, Sean Dillon, Yves Chabal, Julia W. P. Hsu, Kyeongjae Cho

Version 1 posted 03 December 2018

690

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Inorganic Chemistry

Working Paper

H2 Evolution from H2O via O–H Oxidative Addition Across a 9,10-Diboraanthracene

Jordan W. Taylor, William Harman

Version 1 posted 03 August 2020

368

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Inorganic Chemistry

Working Paper

On the Crystal Chemistry of Inorganic Nitrides: Crystal-Chemical Parameters, Bonding Behavior, and Opportunities in the Exploration of Their Compositional Space

Olivier Charles Gagné

Version 4 posted 02 November 2020

1,102

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Inorganic Chemistry

Working Paper

The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions

Cameron Hargreaves, Matthew Dyer, Michael Gaultois, Vitaliy Kurlin, Matthew J Rosseinsky

Version 1 posted 10 August 2020

631

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Theoretical and Computational Chemistry

Working Paper

Intuition-Enabled Machine Learning Beats the Competition When Joint Human-Robot Teams Perform Inorganic Chemical Experiments

Leroy Cronin, Vasilios Duros, Jonathan Grizou, Abhishek Sharma, Hessam Mehr, Andrius Bubliauskas, Przemysław Frei, Haralampos N. Miras

Version 1 posted 13 February 2019

1,061

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Chemical Education

Working Paper

Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with an N2O2 Donor Set

Joel Collett, Jeanette Krause, Hairong Guan

Version 1 posted 26 August 2020

706

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16 results in Inorganic Chemistry in Keywords: Inorganic Chemistry

Density Functional Approximations for Consistent Spin and Oxidation States of Oxoiron Complexes

La Chimie en Couleurs: Socially-Relevant and Original Research in Chemistry at High-Schools Using Modest Resources

Enumeration of de novo Inorganic Complexes for Chemical Discovery and Machine Learning

Multiple Bonds in Novel Uranium-Transition Metal Complexes

Integrated Experimental-Theoretical Approach to Determine Reliable Molecular Reaction Mechanisms on Transition Metal Oxide Surfaces

H2 Evolution from H2O via O–H Oxidative Addition Across a 9,10-Diboraanthracene

On the Crystal Chemistry of Inorganic Nitrides: Crystal-Chemical Parameters, Bonding Behavior, and Opportunities in the Exploration of Their Compositional Space

The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions

Intuition-Enabled Machine Learning Beats the Competition When Joint Human-Robot Teams Perform Inorganic Chemical Experiments

Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with an N2O2 Donor Set

16 results in Keywords: Inorganic Chemistry