Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF

Understanding CO2 Adsorption in CuBTC MOF: Comparing Combined DFT–ab Initio Calculations with Microcalorimetry Experiments

(2011) Lukáš Grajciar et al.   Journal of Physical Chemistry C

Effects of varying water adsorption on a Cu3(BTC)2 metal–organic framework (MOF) as studied by 1H and 13C solid-state NMR spectroscopy

(2011) Farhana Gul-E-Noor et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

[Cu3(BTC)2]: A Metal-Organic Framework Catalyst for the Friedländer Reaction

(2010) Elena Pérez-Mayoral et al.   ChemCatChem

Suitability of Cu-BTC extrudates for propane–propylene separation by adsorption processes

(2010) Alexandre F.P. Ferreira et al.   CHEMICAL ENGINEERING JOURNAL

CO2and CH4Separation by Adsorption Using Cu-BTC Metal−Organic Framework

(2010) Lomig Hamon et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Molecular chemisorption on open metal sites in Cu3(benzenetricarboxylate)2: A spatially periodic density functional theory study

(2010) Taku Watanabe et al.   JOURNAL OF CHEMICAL PHYSICS

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

Molecular Simulations and Experimental Studies of CO2, CO, and N2 Adsorption in Metal−Organic Frameworks

(2010) Jagadeswara R. Karra et al.   Journal of Physical Chemistry C

Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74

(2010) L. Valenzano et al.   Journal of Physical Chemistry C

Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF

(2010) Lukáš Grajciar et al.   Journal of Physical Chemistry Letters

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

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

(2010) Juergen Getzschmann et al.   MICROPOROUS AND MESOPOROUS MATERIALS

High pressure adsorption of hydrogen, nitrogen, carbon dioxide and methane on the metal–organic framework HKUST-1

(2010) J. Moellmer et al.   MICROPOROUS AND MESOPOROUS MATERIALS

CO as an IR probe molecule for characterization of copper ions in a basolite C300 MOF sample

(2010) Nikola Drenchev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT/CC investigation of physical adsorption on a graphite (0001) surface

(2010) Miroslav Rubeš et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CO2Adsorption-Based Separation by Metal Organic Framework (Cu-BTC) versus Zeolite (13X)

(2009) Zhijian Liang et al.   ENERGY & FUELS

Characterization of Lewis Acid Sites in Metal−Organic Frameworks Using Density Functional Theory

(2009) Dahuan Liu et al.   Journal of Physical Chemistry Letters

Ab Initio Study of Hydrogen Adsorption in MOF-5

(2009) Kaido Sillar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exceptionally High Acetylene Uptake in a Microporous Metal−Organic Framework with Open Metal Sites

(2009) Shengchang Xiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Heats of Adsorption for Seven Gases in Three Metal−Organic Frameworks: Systematic Comparison of Experiment and Simulation

(2009) David Farrusseng et al.   LANGMUIR

Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme

(2008) Ota Bludský et al.   JOURNAL OF CHEMICAL PHYSICS

CW and Pulsed ESR Spectroscopy of Cupric Ions in the Metal−Organic Framework Compound Cu3(BTC)2

(2008) Andreas Pöppl et al.   Journal of Physical Chemistry C

Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks

(2008) Juan Manuel Castillo et al.   Journal of Physical Chemistry C

Microwave synthesis of hybrid inorganic–organic materials including porous Cu3(BTC)2 from Cu(II)-trimesate mixture

(2008) You-Kyong Seo et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Hybrid porous solids: past, present, future

(2007) Gérard Férey   CHEMICAL SOCIETY REVIEWS