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List of works by Tina Düren

A Computational and Experimental Approach Linking Disorder, High-Pressure Behavior, and Mechanical Properties in UiO Frameworks

scientific article

A Multiscale Study of MOFs as Adsorbents in H2 PSA Purification

A novel structural form of MIL-53 observed for the scandium analogue and its response to temperature variation and CO2adsorption

scientific article published on 15 November 2011

Conformational isomerism controls collective flexibility in metal–organic framework DUT-8(Ni)

scientific article published on 01 January 2019

Design of new materials for methane storage

scientific article

Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X-ray Powder Diffraction Experiments

scientific article published on 18 June 2013

Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study

scientific article

Hetero-epitaxial approach by using labile coordination sites to prepare catenated metal-organic frameworks with high surface areas.

scientific article published on 24 February 2014

Hydrogen Uptake by {H[Mg(HCOO)3]⊃NHMe2}∞and Determination of Its H2Adsorption Sites through Monte Carlo Simulations

scientific article published on 18 July 2011

Hydrogen thermal desorption spectra: insights from molecular simulation

scientific article published on 06 February 2012

Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations

Inclusion and release of ant alarm pheromones from metal-organic frameworks

scientific article published on 21 July 2020

Interdependent lateral interactions, hydrophobicity and acid strength and their influence on the catalytic activity of nanoporous sulfonic acid silicas

Methane storage mechanism in the metal-organic framework Cu3(btc)2: An in situ neutron diffraction study

article

Modulator-Controlled Synthesis of Microporous STA-26, an Interpenetrated 8,3-Connected Zirconium MOF with the the-i Topology, and its Reversible Lattice Shift

scientific article published on 31 January 2018

Multirate delivery of multiple therapeutic agents from metal-organic frameworks

article

Opening the gate: framework flexibility in ZIF-8 explored by experiments and simulations.

scientific article

Polymorphism of metal-organic frameworks: direct comparison of structures and theoretical N₂-uptake of topological pto- and tbo-isomers

scientific article published on 01 April 2014

Pore-Network Connectivity and Molecular Sieving of Normal and Isoalkanes in the Mesoporous Silica SBA-2

Predicting neopentane isosteric enthalpy of adsorption at zero coverage in MCM-41

scientific article published on 05 May 2011

Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework

scientific article

Special issue Characterisation of Porous Solid IX

Stabilization of scandium terephthalate MOFs against reversible amorphization and structural phase transition by guest uptake at extreme pressure

scientific article published on 04 June 2014

Structural Chemistry, Monoclinic-to-Orthorhombic Phase Transition, and CO2Adsorption Behavior of the Small Pore Scandium Terephthalate, Sc2(O2CC6H4CO2)3, and Its Nitro- And Amino-Functionalized Derivatives

scientific article published on 29 September 2011

Synthesis of MIL-102, a chromium carboxylate metal-organic framework, with gas sorption analysis

scientific article published on 01 November 2006

Tuning the Mechanical Response of Metal-Organic Frameworks by Defect Engineering

scientific article published on 07 September 2018

Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks

scientific article published on 11 December 2017

Ultra-large supramolecular coordination cages composed of endohedral Archimedean and Platonic bodies

scientific article

Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling.

scientific article published on 12 April 2018

Unusual Adsorption Behavior on Metal−Organic Frameworks

article

Using molecular simulation to characterise metal-organic frameworks for adsorption applications.

scientific article published on 11 February 2009

p-Xylene-selective metal-organic frameworks: a case of topology-directed selectivity.

scientific article published on 27 October 2011

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