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Materials Science

Working Paper

Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity

Matthias Golomb, Joaquín Calbo, Jessica K. Bristow, Aron Walsh

Version 1 posted 07 May 2020

528

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Physical Chemistry

Working Paper

Engineering Entangled Photon Pairs with Metal-Organic Frameworks

Ruben Fritz, Yamil J. Colon, Felipe Herrera

Version 1 posted 24 September 2020

484

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Theoretical and Computational Chemistry

Working Paper

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Gloria Capano, Francesco Ambrosio, Stavroula Kampouri, Kyriakos Stylianou, Alfredo Pasquarello, Berend Smit

Version 1 posted 21 January 2020

825

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Theoretical and Computational Chemistry

Working Paper

London Dispersion Governs the Interaction Mechanism of Small Polar and Non-Polar Molecules in Metal-Organic Frameworks

Patrick Melix, Thomas Heine

Version 2 posted 06 April 2020

611

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Inorganic Chemistry

Working Paper

Role of Host-Guest Interaction in Understanding Polymerisation in Metal Organic Frameworks

Dinga Wonanke, Poppy Bennett, Lewis Caldwell, Mathew Addicoat

Version 1 posted 19 February 2021

227

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Materials Science

Working Paper

Taking Lanthanides out of Isolation: Tuning the Optical Properties of Metal-Organic Frameworks

Samantha L. Anderson, Davide Tiana, Christopher Ireland, Gloria Capano, Maria Fumanal, Andrzej Gładysiak, Stavroula Kampouri, Aiman Rahmanudin, Néstor Guijarro, Kevin Sivula, Kyriakos Stylianou, Berend Smit

Version 1 posted 04 February 2020

441

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Materials Science

Working Paper

Design Principles for the Ultimate Gas Deliverable Capacity Material: Nonporous to Porous Deformations Without Volume Change

Matthew Witman, Sanliang Ling, Vitalie Stavila, Pavithra Wijeratne, Hiroyasu Furukawa, Mark Allendorf

Version 1 posted 27 August 2020

361

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Theoretical and Computational Chemistry

Working Paper

Influence of Flexible Side-Chains on the Breathing Phase Transition of Pillared Layer MOFs: A Force Field Investigation

Julian Keupp, Johannes P. Dürholt, Rochus Schmid

Version 1 posted 27 January 2020

895

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Materials Science

Working Paper

Just Add Water: For Instant and Scalable Conversion of Metal Acetate to Metal-Organic Frameworks

Srinivasapriyan Vijayan

Version 1 posted 02 July 2020

363

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Materials Science

Working Paper

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

Ryther Anderson, Diego Gómez-Gualdrón

Version 1 posted 21 February 2020

752

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1

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21 results in Metal Organic Frameworks (MOFs) in Keywords: Metal Organic Frameworks (MOFs)

Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity

Engineering Entangled Photon Pairs with Metal-Organic Frameworks

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

London Dispersion Governs the Interaction Mechanism of Small Polar and Non-Polar Molecules in Metal-Organic Frameworks

Role of Host-Guest Interaction in Understanding Polymerisation in Metal Organic Frameworks

Taking Lanthanides out of Isolation: Tuning the Optical Properties of Metal-Organic Frameworks

Design Principles for the Ultimate Gas Deliverable Capacity Material: Nonporous to Porous Deformations Without Volume Change

Influence of Flexible Side-Chains on the Breathing Phase Transition of Pillared Layer MOFs: A Force Field Investigation

Just Add Water: For Instant and Scalable Conversion of Metal Acetate to Metal-Organic Frameworks

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

21 results in Keywords: Metal Organic Frameworks (MOFs)