Transport of acetylene adsorbed in CuBTC metal organic framework

Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations

(2012) Linjiang Chen et al.   Journal of Physical Chemistry C

Self-Diffusion of Chain Molecules in the Metal–Organic Framework IRMOF-1: Simulation and Experiment

(2012) Denise C. Ford et al.   Journal of Physical Chemistry Letters

Diffusion of long chain n-alkanes in the metal–organic framework MIL-47(V): A combination of neutron scattering experiments and molecular dynamics simulations

(2012) S. Rives et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Structural Study of D2 within the Trimodal Pore System of a Metal Organic Framework

(2011) Vanessa K. Peterson et al.   Journal of Physical Chemistry C

Open Metal Sites within Isostructural Metal-Organic Frameworks for Differential Recognition of Acetylene and Extraordinarily High Acetylene Storage Capacity at Room Temperature

(2010) Shengchang Xiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rotational dynamics of propylene in ZSM-5 zeolitic frameworks

(2010) Siddharth Gautam et al.   CHEMICAL PHYSICS LETTERS

Metal-Organic Frameworks with Exceptionally High Methane Uptake: Where and How is Methane Stored?

(2010) Hui Wu et al.   CHEMISTRY-A EUROPEAN JOURNAL

New Microporous Materials for Acetylene Storage and C2H2/CO2 Separation: Insights from Molecular Simulations

(2010) Michael Fischer et al.   CHEMPHYSCHEM

A force field for dynamic Cu-BTC metal-organic framework

(2010) Lei Zhao et al.   JOURNAL OF MOLECULAR MODELING

Self-Diffusion Studies in CuBTC by PFG NMR and MD Simulations

(2010) M. Wehring et al.   Journal of Physical Chemistry C

Structural Stability of Metal Organic Framework MOF-177

(2010) Dipendu Saha et al.   Journal of Physical Chemistry Letters

Dynamics of Propylene adsorbed in Na-Y and Na-ZSM5 Zeolites: A QENS and MD Simulation Study

(2010) V. K. Sharma et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal

(2009) Jie-Peng Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of benzene diffusion in MOF-5: A molecular dynamics investigation

(2009) Saeed Amirjalayer et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Adsorption and Diffusion of Hydrogen in a New Metal−Organic Framework Material:  [Zn(bdc)(ted)0.5]

(2008) Jinchen Liu et al.   Journal of Physical Chemistry C

Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations

(2008) C. Chmelik et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Dynamics of 1,3-butadiene adsorbed in Na-Y zeolite: A molecular dynamics simulation study

(2008) Siddharth Gautam et al.   PHYSICAL REVIEW E