In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

Dynamic acidity in defective UiO-66

(2016) Sanliang Ling et al.   Chemical Science

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

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

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

(2015) Thomas M. McDonald et al.   NATURE

Methane storage in flexible metal–organic frameworks with intrinsic thermal management

(2015) Jarad A. Mason et al.   NATURE

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates

(2015) Dorothea Golze et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal–Organic Frameworks by Modifying the Framework Inorganic Anion

(2014) Chompoonoot Nanthamathee et al.   CHEMISTRY OF MATERIALS

Construction and Characterization of Structure Models of Crystalline Porous Polymers

(2014) Richard Luis Martin et al.   CRYSTAL GROWTH & DESIGN

Synthesis and Characterization of Metal–Organic Framework-74 Containing 2, 4, 6, 8, and 10 Different Metals

(2014) Lisa J. Wang et al.   INORGANIC CHEMISTRY

Force-Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal–Organic Frameworks

(2014) Li-Chiang Lin et al.   Journal of Chemical Theory and Computation

AuToGraFS: Automatic Topological Generator for Framework Structures

(2014) Matthew A. Addicoat et al.   JOURNAL OF PHYSICAL CHEMISTRY A

In Silico Discovery of High Deliverable Capacity Metal–Organic Frameworks

(2014) Yi Bao et al.   Journal of Physical Chemistry C

M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal–Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites

(2014) Matthew T. Kapelewski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules

(2013) Richard L. Martin et al.   Journal of Physical Chemistry C

Evaluating metal–organic frameworks for natural gas storage

(2013) Jarad A. Mason et al.   Chemical Science

Introduction to Metal–Organic Frameworks

(2012) Hong-Cai Zhou et al.   CHEMICAL REVIEWS

In silico screening of carbon-capture materials

(2012) Li-Chiang Lin et al.   NATURE MATERIALS

Large-Pore Apertures in a Series of Metal-Organic Frameworks

(2012) H. Deng et al.   SCIENCE

Metal–Organic Framework Materials as Chemical Sensors

(2011) Lauren E. Kreno et al.   CHEMICAL REVIEWS

Metal–Organic Frameworks for Separations

(2011) Jian-Rong Li et al.   CHEMICAL REVIEWS

Progress in adsorption-based CO2capture by metal–organic frameworks

(2011) Jian Liu et al.   CHEMICAL SOCIETY REVIEWS

Evaluating metal–organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

(2011) Jarad A. Mason et al.   Energy & Environmental Science

Site-Specific CO2 Adsorption and Zero Thermal Expansion in an Anisotropic Pore Network

(2011) Wendy L. Queen et al.   Journal of Physical Chemistry C

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Large-scale screening of hypothetical metal–organic frameworks

(2011) Christopher E. Wilmer et al.   Nature Chemistry

Catalysis by metal–organic frameworks: fundamentals and opportunities

(2011) Marco Ranocchiari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures

(2011) Axel Drefahl   Journal of Cheminformatics

Confab - Systematic generation of diverse low-energy conformers

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

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

Hydrogen storage in metal–organic frameworks

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

Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

(2009) Carlos Campañá et al.   Journal of Chemical Theory and Computation

The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets

(2008) Michael O’Keeffe et al.   ACCOUNTS OF CHEMICAL RESEARCH

Base-Induced Formation of Two Magnesium Metal-Organic Framework Compounds with a Bifunctional Tetratopic Ligand

(2008) Pascal D. C. Dietzel et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY