Dynamic acidity in defective UiO-66

Origin of highly active metal–organic framework catalysts: defects? Defects!

(2016) J. Canivet et al.   DALTON TRANSACTIONS

Defect-Engineered Metal-Organic Frameworks

(2015) Zhenlan Fang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Definitive Molecular Level Characterization of Defects in UiO-66 Crystals

(2015) Christopher A. Trickett et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Evaluation of MOFs for air purification and air quality control applications: Ammonia removal from air

(2015) Himanshu Jasuja et al.   CHEMICAL ENGINEERING SCIENCE

Brønsted Acidity in Metal–Organic Frameworks

(2015) Juncong Jiang et al.   CHEMICAL REVIEWS

Defect Control To Enhance Proton Conductivity in a Metal–Organic Framework

(2015) Jared M. Taylor et al.   CHEMISTRY OF MATERIALS

Active site engineering in UiO-66 type metal–organic frameworks by intentional creation of defects: a theoretical rationalization

(2015) Matthias Vandichel et al.   CRYSTENGCOMM

Unusually Large Band Gap Changes in Breathing Metal–Organic Framework Materials

(2015) Sanliang Ling et al.   Journal of Physical Chemistry C

Defects in Metal–Organic Frameworks: Challenge or Opportunity?

(2015) David S. Sholl et al.   Journal of Physical Chemistry Letters

Crystal Facets Make a Profound Difference in Polyoxometalate-Containing Metal–Organic Frameworks as Catalysts for Biodiesel Production

(2015) Yiwei Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal–Organic Framework Nodes as Nearly Ideal Supports for Molecular Catalysts: NU-1000- and UiO-66-Supported Iridium Complexes

(2015) Dong Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical study of conformational disorder and selective adsorption of small organic molecules in the flexible metal-organic framework material MIL-53-Fe

(2015) Sanliang Ling et al.   MOLECULAR SIMULATION

Destruction of chemical warfare agents using metal–organic frameworks

(2015) Joseph E. Mondloch et al.   NATURE MATERIALS

Illuminating CO2 reduction on frustrated Lewis pair surfaces: investigating the role of surface hydroxides and oxygen vacancies on nanocrystalline In2O3−x(OH)y

(2015) Kulbir Kaur Ghuman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuned to Perfection: Ironing Out the Defects in Metal–Organic Framework UiO-66

(2014) Greig C. Shearer et al.   CHEMISTRY OF MATERIALS

Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal–Organic Frameworks

(2014) Sigurd Øien et al.   CRYSTAL GROWTH & DESIGN

Defining the Proton Topology of the Zr6-Based Metal–Organic Framework NU-1000

(2014) Nora Planas et al.   Journal of Physical Chemistry Letters

Electronic Chemical Potentials of Porous Metal–Organic Frameworks

(2014) Keith T. Butler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water Adsorption in Porous Metal–Organic Frameworks and Related Materials

(2014) Hiroyasu Furukawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Correlated defect nanoregions in a metal–organic framework

(2014) Matthew J. Cliffe et al.   Nature Communications

A facile synthesis of UiO-66, UiO-67 and their derivatives

(2013) Michael J. Katz et al.   CHEMICAL COMMUNICATIONS

Unusual and Highly Tunable Missing-Linker Defects in Zirconium Metal–Organic Framework UiO-66 and Their Important Effects on Gas Adsorption

(2013) Hui Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization

(2013) Christopher H. Hendon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal–Organic Frameworks: The Unique Case of UiO-66(Zr)

(2013) Frederik Vermoortele et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In Situ Infrared Spectroscopic and Gravimetric Characterisation of the Solvent Removal and Dehydroxylation of the Metal Organic Frameworks UiO-66 and UiO-67

(2013) Greig C. Shearer et al.   TOPICS IN CATALYSIS

Metal Organic Framework Catalysis: Quo vadis?

(2013) Jorge Gascon et al.   ACS Catalysis

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

How Can a Hydrophobic MOF be Water-Unstable? Insight into the Hydration Mechanism of IRMOFs

(2012) Marta De Toni et al.   CHEMPHYSCHEM

Early stages in the degradation of metal–organic frameworks in liquid water from first-principles molecular dynamics

(2012) Luca Bellarosa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Functionalizing porous zirconium terephthalate UiO-66(Zr) for natural gas upgrading: a computational exploration

(2011) Qingyuan Yang et al.   CHEMICAL COMMUNICATIONS

Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory

(2011) Loredana Valenzano et al.   CHEMISTRY OF MATERIALS

Use of confocal fluorescence microscopy to compare different methods of modifying metal–organic framework (MOF) crystals with dyes

(2011) Mingyan Ma et al.   CRYSTENGCOMM

Surface Chemistry of Metal-Organic Frameworks at the Liquid-Solid Interface

(2010) Denise Zacher et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations

(2010) Manuel Guidon et al.   Journal of Chemical Theory and Computation

Catalysis of Transesterification by a Nonfunctionalized Metal−Organic Framework: Acido-Basicity at the External Surface of ZIF-8 Probed by FTIR andab InitioCalculations

(2010) Céline Chizallet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Frustrated Lewis Pairs: Metal-free Hydrogen Activation and More

(2009) Douglas W. Stephan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Engineering of coordination polymers for shape selective alkylation of large aromatics and the role of defects

(2009) Ugo Ravon et al.   MICROPOROUS AND MESOPOROUS MATERIALS