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Theoretical and Computational Chemistry

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Challenges and opportunities of molecular simulations for negative gas adsorption

Jack Evans, François-Xavier Coudert

Version 1 posted 15 April 2024

292

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Organic Chemistry

Working Paper

bis(trifluoromethyl)-carborhodamines: highly fluorogenic, far-red to near infrared dyes for live cell fluorescence microscopy, activity-based sensing, and single-molecule microscopy

Nels Gerstner, Jack McCann, Julia Martin, Katharine Henn, Kathrin Riske, Sathvik Anantakrishnan, Thomas Graham, Xavier Darzacq, Evan Miller

Version 2 posted 03 April 2025

707

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Inorganic Chemistry

Working Paper

Lowering the energetic landscape for negative thermal expansion in 3DL-MOFs

Lauren Macreadie, Jack Evans, Cameron Kepert, Celia Chen, Helen Maynard-Casely, Samuel Duyker, Ravichandar Babarao

Version 1 posted 21 April 2023

284

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Machine Learning Interatomic Potentials for Amorphous Zeolitic Imidazolate Frameworks

Nicolas Castel, Dune André, Connor Edwards, Jack D. Evans, François-Xavier Coudert

Version 2 posted 03 January 2024

544

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Biological and Medicinal Chemistry

Working Paper

Flipping the switch: reverse-demand voltage-sensitive fluorophores

Jack McCann, Brittany Benlian, Isaac Knudson, Evan Miller

Version 1 posted 26 October 2021

324

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Physical Chemistry

Working Paper

Molecular Diffusion in a Flexible Mesoporous Metal-Organic Framework over the Course of Structural Contraction

Francesco Walenszus, Volodymyr Bon, Jack D. Evans, Stefan Kaskel, Muslim Dvoyashkin

Version 1 posted 11 September 2020

515

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Materials Science

Working Paper

Nanoscale Metamaterials: Meta-MOFs and Framework Materials with Anomalous Behavior

François-Xavier Coudert, Jack D. Evans

Version 2 posted 11 February 2019

2,062

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Materials Chemistry

Working Paper

Tailoring Adsorption Induced Switchability of a Pillared Layer MOF by Crystal Size Engineering

Leila Abylgazina, Irena Senkovska, Sebastian Ehrling, Volodymyr Bon, Petko Petkov, Jack D. Evans, Svetlana Krylova, Alexander Krylov, Stefan Kaskel

Version 1 posted 04 September 2020

328

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Inorganic Chemistry

Working Paper

Engineering Micromechanics of Soft Porous Crystals for Negative Gas Adsorption

Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, Sebastian Ehrling, Paul Iacomi, Daniel D. Többens, Dirk Wallacher, Manfred S. Weiss, Bin Zheng, Pascal G. Yot, Guillaume Maurin, Philip L. Llewellyn, François-Xavier Coudert, Stefan Kaskel

Version 1 posted 08 July 2020

531

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Materials Science

Working Paper

Towards General Network Architecture Design Criteria for Negative Gas Adsorption Transitions in Ultraporous Frameworks

Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, Paul Iacomi, Felicitas Kolbe, Sebastian Ehrling, Erik Troschke, Jürgen Getzschmann, Daniel D. Többens, Alexandra Franz, Dirk Wallacher, Pascal G. Yot, Guillaume Maurin, Eike Brunner, Philip L. Llewellyn, François-Xavier Coudert, Stefan Kaskel

Version 1 posted 13 March 2019

847

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26 results in Jack Evans in Authors: Jack Evans

Challenges and opportunities of molecular simulations for negative gas adsorption

bis(trifluoromethyl)-carborhodamines: highly fluorogenic, far-red to near infrared dyes for live cell fluorescence microscopy, activity-based sensing, and single-molecule microscopy

Lowering the energetic landscape for negative thermal expansion in 3DL-MOFs

Machine Learning Interatomic Potentials for Amorphous Zeolitic Imidazolate Frameworks

Flipping the switch: reverse-demand voltage-sensitive fluorophores

Molecular Diffusion in a Flexible Mesoporous Metal-Organic Framework over the Course of Structural Contraction

Nanoscale Metamaterials: Meta-MOFs and Framework Materials with Anomalous Behavior

Tailoring Adsorption Induced Switchability of a Pillared Layer MOF by Crystal Size Engineering

Engineering Micromechanics of Soft Porous Crystals for Negative Gas Adsorption

Towards General Network Architecture Design Criteria for Negative Gas Adsorption Transitions in Ultraporous Frameworks

26 results in Authors: Jack Evans