Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: A ReaxFF molecular dynamics simulation

ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal–organic framework

(2012) Liangliang Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermodynamic Methods and Models to Study Flexible Metal-Organic Frameworks

(2011) François-Xavier Coudert et al.   CHEMPHYSCHEM

Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics

(2011) Si-ping Han et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Toward Understanding Reactive Adsorption of Ammonia on Cu-MOF/Graphite Oxide Nanocomposites

(2011) Camille Petit et al.   LANGMUIR

Molecular simulation investigation into the performance of Cu–BTC metal–organic frameworks for carbon dioxide–methane separations

(2011) Juan José Gutiérrez-Sevillano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Effect of air humidity on the removal of carbon tetrachloride from air using Cu–BTC metal–organic framework

(2011) Ana Martín-Calvo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen Sulfide Adsorption on MOFs and MOF/Graphite Oxide Composites

(2010) Camille Petit et al.   CHEMPHYSCHEM

Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces

(2010) Kaushik Joshi et al.   JOURNAL OF MATERIALS CHEMISTRY

Development of a ReaxFF Reactive Force Field for Aqueous Chloride and Copper Chloride

(2010) Obaidur Rahaman et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases

(2010) Adri C. T. van Duin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization

(2010) Obaidur Rahaman et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

Application of the ReaxFF Reactive Force Field to Reactive Dynamics of Hydrocarbon Chemisorption and Decomposition

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

CO2/H2O Adsorption Equilibrium and Rates on Metal−Organic Frameworks: HKUST-1 and Ni/DOBDC

(2010) Jian Liu et al.   LANGMUIR

Reactive Adsorption of Ammonia on Cu-Based MOF/Graphene Composites

(2010) Camille Petit et al.   LANGMUIR

Evaluation of synthetic methods for microporous metal–organic frameworks exemplified by the competitive formation of [Cu2(btc)3(H2O)3] and [Cu2(btc)(OH)(H2O)]

(2010) Maik Schlesinger et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Metal-Organic Frameworks: Opportunities for Catalysis

(2009) David Farrusseng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ammonia Vapor Removal by Cu3(BTC)2 and Its Characterization by MAS NMR

(2009) Gregory W. Peterson et al.   Journal of Physical Chemistry C

Pressure-Induced Amorphization and Porosity Modification in a Metal−Organic Framework

(2009) Karena W. Chapman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks

(2008) Mark D. Allendorf et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal-organic frameworks with high capacity and selectivity for harmful gases

(2008) D. Britt et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA