High-Temperature Hydrogen Storage of Multiple Molecules: Theoretical Insights from Metalated Catechols

Adsorption of two gas molecules at a single metal site in a metal–organic framework

(2016) Tomče Runčevski et al.   CHEMICAL COMMUNICATIONS

Impact of metal-alkoxide functionalized linkers on H 2 binding: A density functional study

(2016) Tahamida Banu et al.   CHEMICAL PHYSICS LETTERS

ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

(2016) Narbe Mardirossian et al.   JOURNAL OF CHEMICAL PHYSICS

UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation

(2016) Feng Luo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metalation of a Thiocatechol-Functionalized Zr(IV)-Based Metal–Organic Framework for Selective C–H Functionalization

(2015) Honghan Fei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Post-synthetic metalation of metal–organic frameworks

(2014) Jack D. Evans et al.   CHEMICAL SOCIETY REVIEWS

Reusable Oxidation Catalysis Using Metal-Monocatecholato Species in a Robust Metal–Organic Framework

(2014) Honghan Fei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrogen Physisorption on Metal–Organic Framework Linkers and Metalated Linkers: A Computational Study of the Factors That Control Binding Strength

(2014) Ehud Tsivion et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

H2 interaction with divalent cations in isostructural MOFs: a key study for variable temperature infrared spectroscopy

(2013) Sachin M. Chavan et al.   DALTON TRANSACTIONS

Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals

(2013) Paul R. Horn et al.   JOURNAL OF CHEMICAL PHYSICS

Exceptional Mechanical Stability of Highly Porous Zirconium Metal–Organic Framework UiO-66 and Its Important Implications

(2013) Hui Wu et al.   Journal of Physical Chemistry Letters

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

The effect of water adsorption on the structure of the carboxylate containing metal–organic frameworks Cu-BTC, Mg-MOF-74, and UiO-66

(2013) Jared B. DeCoste et al.   Journal of Materials Chemistry A

Nanosize Zr-metal organic framework (UiO-66) for hydrogen and carbon dioxide storage

(2012) Hussein Rasool Abid et al.   CHEMICAL ENGINEERING JOURNAL

The Entropies of Adsorbed Molecules

(2012) Charles T. Campbell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuning the Adsorption Properties of UiO-66 via Ligand Functionalization

(2012) Gregory E. Cmarik et al.   LANGMUIR

Hydrogen Storage in Metal–Organic Frameworks

(2011) Myunghyun Paik Suh et al.   CHEMICAL REVIEWS

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

Postsynthetic ligand exchange as a route to functionalization of ‘inert’ metal–organic frameworks

(2011) Min Kim et al.   Chemical Science

Post-synthetic modification of the metal–organic framework compound UiO-66

(2010) Mathivathani Kandiah et al.   JOURNAL OF MATERIALS CHEMISTRY

Metal Alkoxide Functionalization in Metal−Organic Frameworks for Enhanced Ambient-Temperature Hydrogen Storage

(2010) Rachel B. Getman et al.   Journal of Physical Chemistry C

Hydrogen storage in metal–organic frameworks

(2009) Leslie J. Murray et al.   CHEMICAL SOCIETY REVIEWS

A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability

(2008) Jasmina Hafizovic Cavka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY