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Theoretical and Computational Chemistry

Working Paper

Unveiling Non-Monotonic Deformation of Flexible MOFs during Gas Adsorption: From Contraction and Softening to Expansion and Hardening

Shivam Parashar, Nicholas J. Corrente, Alexander V. Neimark

Version 2 posted 25 October 2024

238

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Physical Chemistry

Working Paper

Reversible Switching Between Positive and Negative Thermal Expansion in a Metal-Organic Framework DUT-49

Bikash Garai, Volodymyr Bon, Anastasia A. Efimova, Martin Gerlach, Irena Senkovska, Stefan Kaskel

Version 2 posted 06 August 2020

441

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Materials Science

Working Paper

Molecular Dynamics Simulations of the “Breathing” Phase Transformation of MOF Nanocrystallites

Julian Keupp, Rochus Schmid

Version 1 posted 17 June 2019

1,130

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1

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Materials Science

Working Paper

A Surprising Use of the Business Innovation Bass Diffusion Model to Accurately Describe Adsorption Isotherm Types I, III, and V

Lukas Willi Bingel, Krista S Walton

Version 1 posted 17 February 2023

196

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Materials Science

Working Paper

Absorbing stress via molecular crumple zones: Strain engineering flexibility into the rigid UiO-66 material

Sven Rogge, Sander Borgmans, Veronique Van Speybroeck

Version 1 posted 13 October 2022

132

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Theoretical and Computational Chemistry

Working Paper

Tuning the Electric Field Response of MOFs by Rotatable Dipolar Linkers

Johannes P. Dürholt, Babak Farhadi Jahromi, Rochus Schmid

Version 1 posted 21 May 2019

571

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Inorganic Chemistry

Working Paper

Crystal Size Dependent Flexibility in ZIF-7: From Macro- to Nano-Scale

Rimita Bose, Volodymyr Bon, Nadine Bönisch, Parasuraman Selvam, Niket S. Kaisare, Stefan Kaskel

Version 2 posted 26 July 2023

652

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Physical Chemistry

Working Paper

Unraveling the Guest-Induced Switchability in the Metal-Organic Framework DUT-13(Zn)

Bodo Felsner, Volodymyr Bon, Jack D. Evans, Friedrich Schwotzer, Ronny Grünker, Irena Senkovska, Stefan Kaskel

Version 1 posted 17 February 2021

345

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Biological and Medicinal Chemistry

Working Paper

Host Dynamics under General-Purpose Force Fields

Xiaohui Wang, Zhe Huai, Zhaoxi Sun

Version 2 posted 04 May 2023

203

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1

Citations

Refine Search

9 results in Flexibility in Keywords: Flexibility

Unveiling Non-Monotonic Deformation of Flexible MOFs during Gas Adsorption: From Contraction and Softening to Expansion and Hardening

Reversible Switching Between Positive and Negative Thermal Expansion in a Metal-Organic Framework DUT-49

Molecular Dynamics Simulations of the “Breathing” Phase Transformation of MOF Nanocrystallites

A Surprising Use of the Business Innovation Bass Diffusion Model to Accurately Describe Adsorption Isotherm Types I, III, and V

Absorbing stress via molecular crumple zones: Strain engineering flexibility into the rigid UiO-66 material

Tuning the Electric Field Response of MOFs by Rotatable Dipolar Linkers

Crystal Size Dependent Flexibility in ZIF-7: From Macro- to Nano-Scale

Unraveling the Guest-Induced Switchability in the Metal-Organic Framework DUT-13(Zn)

Host Dynamics under General-Purpose Force Fields

9 results in Keywords: Flexibility