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Inorganic Chemistry

Working Paper

Superionic Lithium Intercalation through 2 nm x 2 nm Columns in the Crystallographic Shear Phase Nb18W8O69

Kent Griffith, Clare P. Grey

Version 2 posted 31 March 2020

767

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Theoretical and Computational Chemistry

Working Paper

Tuning the Redox Activity of Metal−Organic Frameworks for Enhanced, Selective O₂ Binding: Design Rules and Ambient Temperature O₂ Chemisorption in a Cobalt−Triazolate Framework

Andrew Rosen, M. Rasel Mian, Timur Islamoglu, Haoyuan Chen, Omar Farha, Justin Notestein, Randall Q. Snurr

Version 2 posted 20 January 2020

1,519

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Inorganic Chemistry

Working Paper

Discovering Ferro- and Piezoelectricity in Lead-Free Oxyhydrides Ln2H4O (Ln = Y, La)

Aleksandr Pishtshev, Evgenii Strugovshchikov

Version 1 posted 08 July 2019

473

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Physical Chemistry

Working Paper

Operando Diffuse Reflectance UV-VIS Spectroelectrochemistry for Investigating Oxygen Evolution Electrocatalysts

Sebastian Wahl, Sayed M. El-Refaei, Patrick Amsalem, Ana de Oliveira Guilherme Buzanich, Norbert Koch, Nicola Pinna

Version 2 posted 09 September 2019

1,166

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Physical Chemistry

Working Paper

Multiscale Modeling of Molecular Structure and Optical Properties of Complex Supramolecular Aggregates

Anna S. Bondarenko, Ilias Patmanidis, Riccardo Alessandri, Paulo C. T. Souza, Thomas L.C. Jansen, Alex H. de Vries, Siewert-Jan Marrink, Jasper Knoester

Version 1 posted 01 June 2020

526

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1

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Organic Chemistry

Working Paper

Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons

Tomer Weiss, Alexandra Wahab, Alex M. Bronstein, Renana Gershoni-Poranne

Version 1 posted 25 May 2022

665

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3

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Energy

Working Paper

Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal-organic frameworks

Jamie W. Gittins, Chloe J. Balhatchet, Yuan Chen, Cheng Liu, David G. Madden, Sylvia Britto, Matthias Golomb, Aron Walsh, David Fairen-Jimenez, Sian Dutton, Alexander C. Forse

Version 3 posted 13 May 2021

1,487

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Analytical Chemistry

Working Paper

Quantifying the Influence of C-H···pi Interactions on Non-Aqueous Electrolyte Solubility

Sharmila Samaroo, Charley Hengesbach, Chase Bruggeman, Nunzio Carducci, Lincoln Mtemeri, Thomas Guarr, David Hickey

Version 1 posted 30 January 2023

260

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Theoretical and Computational Chemistry

Working Paper

COMPAS-3: a Data Set of peri-Condensed Polybenzenoid Hydrocarbons

Alexandra Wahab, Renana Gershoni-Poranne

Version 1 posted 26 February 2024

237

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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

1,156

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Refine Search

17 results in structure-property relationships in Keywords: structure-property relationships

Superionic Lithium Intercalation through 2 nm x 2 nm Columns in the Crystallographic Shear Phase Nb18W8O69

Tuning the Redox Activity of Metal−Organic Frameworks for Enhanced, Selective O2 Binding: Design Rules and Ambient Temperature O2 Chemisorption in a Cobalt−Triazolate Framework

Discovering Ferro- and Piezoelectricity in Lead-Free Oxyhydrides Ln2H4O (Ln = Y, La)

Operando Diffuse Reflectance UV-VIS Spectroelectrochemistry for Investigating Oxygen Evolution Electrocatalysts

Multiscale Modeling of Molecular Structure and Optical Properties of Complex Supramolecular Aggregates

Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons

Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal-organic frameworks

Quantifying the Influence of C-H···pi Interactions on Non-Aqueous Electrolyte Solubility

COMPAS-3: a Data Set of peri-Condensed Polybenzenoid Hydrocarbons

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

17 results in Keywords: structure-property relationships

Tuning the Redox Activity of Metal−Organic Frameworks for Enhanced, Selective O₂ Binding: Design Rules and Ambient Temperature O₂ Chemisorption in a Cobalt−Triazolate Framework