Development of a force field for zeolitic imidazolate framework-8 with structural flexibility

Prediction of Structure and Properties of Boron-Based Covalent Organic Frameworks by a First-Principles Derived Force Field

(2012) Saeed Amirjalayer et al.   Journal of Physical Chemistry C

Molecular-Level Characterization of the Breathing Behavior of the Jungle-Gym-type DMOF-1 Metal–Organic Framework

(2012) Jason S. Grosch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanical properties of hybrid inorganic–organic framework materials: establishing fundamental structure–property relationships

(2011) Jin Chong Tan et al.   CHEMICAL SOCIETY REVIEWS

Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: Insight from molecular simulation

(2011) Zhongqiao Hu et al.   JOURNAL OF CHEMICAL PHYSICS

Diffusion of CH4 and H2 in ZIF-8

(2011) Loreen Hertäg et al.   JOURNAL OF MEMBRANE SCIENCE

Oscillation of Surface Structure and Reactivity of PtNi Bimetallic Catalysts with Redox Treatments at Variable Temperatures

(2011) Rentao Mu et al.   Journal of Physical Chemistry C

On the Impact of Sorbent Mobility on the Sorbed Phase Equilibria and Dynamics: A Study of Methane and Carbon Dioxide within the Zeolite Imidazolate Framework-8

(2011) Evangelia Pantatosaki et al.   Journal of Physical Chemistry C

Force Field for Molecular Dynamics Computations in Flexible ZIF-8 Framework

(2011) Bin Zheng et al.   Journal of Physical Chemistry C

Molecular dynamics investigation of the self-diffusion of binary mixture diffusion in the metal-organic framework Zn(tbip) accounting for framework flexibility

(2011) K. Seehamart et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Zeolitic imidazolate frameworks for separation of binary mixtures of CO2, CH4, N2 and H2: A computer simulation investigation

(2011) Anna Battisti et al.   MICROPOROUS AND MESOPOROUS MATERIALS

First-Principles-Derived Force Field for Copper Paddle-Wheel-Based Metal−Organic Frameworks

(2010) Maxim Tafipolsky et al.   Journal of Physical Chemistry C

Determination of heat capacities and thermodynamic properties of two structurally unrelated but isotypic calcium and manganese(II) 2,6-naphthalene dicarboxylate-based MOFs

(2010) Chun-Hong Jiang et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Chemical structure, network topology, and porosity effects on the mechanical properties of Zeolitic Imidazolate Frameworks

(2010) J. C. Tan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular Sieve Membrane: Supported Metal-Organic Framework with High Hydrogen Selectivity

(2009) Yan-Shuo Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The pervasive chemistry of metal–organic frameworks

(2009) Jeffrey R. Long et al.   CHEMICAL SOCIETY REVIEWS

Systematic First Principles Parameterization of Force Fields for Metal−Organic Frameworks using a Genetic Algorithm Approach

(2009) Maxim Tafipolsky et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

Zeolitic Imidazolate Framework Membrane with Molecular Sieving Properties by Microwave-Assisted Solvothermal Synthesis

(2009) Helge Bux et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Molecular Dynamics investigation of the influence of framework flexibility on self-diffusivity of ethane in Zn(tbip) frameworks

(2009) K. Seehamart et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Investigating the reasons for the significant influence of lattice flexibility on self-diffusivity of ethane in Zn(tbip)

(2009) K. Seehamart et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Quasi-Free Methyl Rotation in Zeolitic Imidazolate Framework-8

(2008) Wei Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers

(2008) Jeffery A. Greathouse et al.   Journal of Physical Chemistry C

An Accurate Force Field Model for the Strain Energy Analysis of the Covalent Organic Framework COF-102

(2008) Rochus Schmid et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Dynamics Simulations for Water and Ions in Protein Crystals

(2008) Zhongqiao Hu et al.   LANGMUIR

Hybrid porous solids: past, present, future

(2007) Gérard Férey   CHEMICAL SOCIETY REVIEWS