Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)

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

Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations

(2014) Jihan Kim et al.   Journal of Physical Chemistry C

Understanding Trends in CO2 Adsorption in Metal–Organic Frameworks with Open-Metal Sites

(2014) Roberta Poloni et al.   Journal of Physical Chemistry Letters

Physically-Motivated Force Fields from Symmetry-Adapted Perturbation Theory

(2013) Jesse G. McDaniel et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Probing Adsorption Interactions in Metal–Organic Frameworks using X-ray Spectroscopy

(2013) Walter S. Drisdell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

When metal organic frameworks turn into linear magnets

(2013) Pieremanuele Canepa et al.   PHYSICAL REVIEW B

A combined experimental and quantum chemical study of CO2 adsorption in the metal–organic framework CPO-27 with different metals

(2013) Decai Yu et al.   Chemical Science

Selective adsorption of ethylene over ethane and propylene over propane in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn)

(2013) Stephen J. Geier et al.   Chemical Science

Evaluating metal–organic frameworks for natural gas storage

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

High-throughput screening of small-molecule adsorption in MOF

(2013) Pieremanuele Canepa et al.   Journal of Materials Chemistry A

High Propene/Propane Selectivity in Isostructural Metal-Organic Frameworks with High Densities of Open Metal Sites

(2012) Youn-Sang Bae et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen adsorption in the metal–organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)

(2012) Wendy L. Queen et al.   DALTON TRANSACTIONS

Synthesis of a honeycomb-like Cu-based metal–organic framework and its carbon dioxide adsorption behaviour

(2012) Raúl Sanz et al.   DALTON TRANSACTIONS

Fuel purification, Lewis acid and aerobic oxidation catalysis performed by a microporous Co-BTT (BTT3− = 1,3,5-benzenetristetrazolate) framework having coordinatively unsaturated sites

(2012) Shyam Biswas et al.   JOURNAL OF MATERIALS CHEMISTRY

CO2 Capture by Metal–Organic Frameworks with van der Waals Density Functionals

(2012) Roberta Poloni et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Comparing van der Waals Density Functionals for CO2 Adsorption in Metal Organic Frameworks

(2012) Malay Kumar Rana et al.   Journal of Physical Chemistry C

DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data

(2012) Richard Tumanjong Azuah et al.   JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY

CO2 Dynamics in a Metal–Organic Framework with Open Metal Sites

(2012) Xueqian Kong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab initio carbon capture in open-site metal–organic frameworks

(2012) Allison L. Dzubak et al.   Nature Chemistry

Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites

(2012) E. D. Bloch et al.   SCIENCE

Solvothermal growth of a ruthenium metal–organic framework featuring HKUST-1 structure type as thin films on oxide surfaces

(2011) Olesia Kozachuk et al.   CHEMICAL COMMUNICATIONS

Synthesis of isostructural metal–organic frameworks, CPO-27s, with ultrasound, microwave, and conventional heating: Effect of synthesis methods and metal ions

(2011) Enamul Haque et al.   CHEMICAL ENGINEERING JOURNAL

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

Heats of Adsorption of CO and CO2 in Metal–Organic Frameworks: Quantum Mechanical Study of CPO-27-M (M = Mg, Ni, Zn)

(2011) Loredana Valenzano et al.   Journal of Physical Chemistry C

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

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

Selective Binding of O2over N2in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites

(2011) Eric D. Bloch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reconciling the Discrepancies between Crystallographic Porosity and Guest Access As Exemplified by Zn-HKUST-1

(2011) Jeremy I. Feldblyum et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal−Organic Frameworks as Adsorbents for Hydrogen Purification and Precombustion Carbon Dioxide Capture

(2011) Zoey R. Herm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The iron member of the CPO-27 coordination polymer series: Synthesis, characterization, and intriguing redox properties

(2011) Matthias Märcz et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Economic and energetic analysis of capturing CO2 from ambient air

(2011) K. Z. House et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Carbon Dioxide Capture: Prospects for New Materials

(2010) Deanna M. D'Alessandro et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Adsorption of CO2 and CH4 on a magnesium-based metal organic framework

(2010) Zongbi Bao et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Solvothermal Synthesis of Fe-MOF-74 and Its Catalytic Properties in Phenol Hydroxylation

(2010) Samiran Bhattacharjee et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Adsorption Sites and Binding Nature of CO2 in Prototypical Metal−Organic Frameworks: A Combined Neutron Diffraction and First-Principles Study

(2010) Hui Wu et al.   Journal of Physical Chemistry Letters

Highly-Selective and Reversible O2Binding in Cr3(1,3,5-benzenetricarboxylate)2

(2010) Leslie J. Murray et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal–organic framework (Fe-BTT) discovered via high-throughput methods

(2010) Kenji Sumida et al.   Chemical Science

Potential applications of metal-organic frameworks

(2009) Ryan J. Kuppler et al.   COORDINATION CHEMISTRY REVIEWS

OLEX2: a complete structure solution, refinement and analysis program

(2009) Oleg V. Dolomanov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal sites

(2009) D. Britt et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Adsorption properties and structure of CO2 adsorbed on open coordination sites of metal–organic framework Ni2(dhtp) from gas adsorption, IR spectroscopy and X-ray diffraction

(2008) Pascal D. C. Dietzel et al.   CHEMICAL COMMUNICATIONS

Structural Changes and Coordinatively Unsaturated Metal Atoms on Dehydration of Honeycomb Analogous Microporous Metal–Organic Frameworks

(2008) Pascal D. C. Dietzel et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Size-Selective Lewis Acid Catalysis in a Microporous Metal-Organic Framework with Exposed Mn2+Coordination Sites

(2008) Satoshi Horike et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced H2Adsorption in Isostructural Metal−Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions

(2008) Wei Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores

(2008) Stephen R. Caskey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Increasing the Density of Adsorbed Hydrogen with Coordinatively Unsaturated Metal Centers in Metal−Organic Frameworks

(2008) Yun Liu et al.   LANGMUIR

The design of a bismuth-based auxiliary filter for the removal of spurious background scattering associated with filter-analyzer neutron spectrometers

(2008) T.J. Udovic et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT