Temperature controlled invertible selectivity for adsorption of N2 and CH4 by molecular trapdoor chabazites

Determination of Composition Range for “Molecular Trapdoor” Effect in Chabazite Zeolite

(2013) Jin Shang et al.   Journal of Physical Chemistry C

Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials

(2012) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

The removal of CO2 and N2 from natural gas: A review of conventional and emerging process technologies

(2012) T.E. Rufford et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Discriminative Separation of Gases by a “Molecular Trapdoor” Mechanism in Chabazite Zeolites

(2012) Jin Shang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials

(2011) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

Adsorption of CO2, CH4, N2O, and N2on MOF-5, MOF-177, and Zeolite 5A

(2010) Dipendu Saha et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials

(2010) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

Potassium Chabazite: A Potential Nanocontainer for Gas Encapsulation

(2010) Jin Shang et al.   Journal of Physical Chemistry C

Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4, and CH4/N2 by ZIFs

(2010) Bei Liu et al.   Journal of Physical Chemistry C