Control of zeolite pore interior for chemoselective alkyne/olefin separations

Metal–Organic Framework Containing Planar Metal-Binding Sites: Efficiently and Cost-Effectively Enhancing the Kinetic Separation of C2H2/C2H4

(2019) Jia Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Simulation of Inelastic Neutron Scattering Spectra Using OCLIMAX

(2019) Y. Q. Cheng et al.   Journal of Chemical Theory and Computation

A Single-Molecule Propyne Trap: Highly Efficient Removal of Propyne from Propylene with Anion-Pillared Ultramicroporous Materials

(2018) Lifeng Yang et al.   ADVANCED MATERIALS

Separation of Acetylene from Carbon Dioxide and Ethylene by a Water-Stable Microporous Metal-Organic Framework with Aligned Imidazolium Groups inside the Channels

(2018) Jaechul Lee et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Robust Ultramicroporous Metal-Organic Frameworks with Benchmark Affinity for Acetylene

(2018) Yun-Lei Peng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations

(2018) Zongbi Bao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Infrared photodissociation spectroscopy of cold cationic trimethylamine complexes

(2018) Xin Lei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Metal-Organic Framework with Suitable Pore Size and Specific Functional Site for Record Removal of Trace Propyne from Propylene

(2018) Banglin Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Propane dehydrogenation catalyzed by gallosilicate MFI zeolites with perturbed acidity

(2017) Seung-Won Choi et al.   JOURNAL OF CATALYSIS

Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material

(2017) Rui-Biao Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Flexible–Robust Metal–Organic Framework for Efficient Removal of Propyne from Propylene

(2017) Libo Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Control of zeolite framework flexibility and pore topology for separation of ethane and ethylene

(2017) Pablo J. Bereciartua et al.   SCIENCE

Controlling guest conformation for efficient purification of butadiene

(2017) Pei-Qin Liao et al.   SCIENCE

Cation Migration and Structural Deformations upon Dehydration of Nickel-Exchanged NaY Zeolite: A Combined Neutron Diffraction and Monte Carlo Study

(2016) Wilfried Louisfrema et al.   Journal of Physical Chemistry C

Seven chemical separations to change the world

(2016) David S. Sholl et al.   NATURE

Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene

(2016) X. Cui et al.   SCIENCE

A metal-organic framework-based splitter for separating propylene from propane

(2016) A. Cadiau et al.   SCIENCE

Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory

(2015) Krista S. Walton et al.   AICHE JOURNAL

Small-Molecule Adsorption in Open-Site Metal–Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design

(2015) Kyuho Lee et al.   CHEMISTRY OF MATERIALS

Microporous metal–organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures

(2015) Tong-Liang Hu et al.   Nature Communications

Supramolecular binding and separation of hydrocarbons within a functionalized porous metal–organic framework

(2014) Sihai Yang et al.   Nature Chemistry

Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation

(2013) Patrick Nugent et al.   NATURE

Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels

(2013) Z. R. Herm et al.   SCIENCE

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites

(2012) E. D. Bloch et al.   SCIENCE

Nickel Coordination to Lattice Oxygens in Basic LSX, X and Y Sodium Faujasites: A DFT Study

(2011) H. Guesmi et al.   Journal of Physical Chemistry C

Rationally tuned micropores within enantiopure metal-organic frameworks for highly selective separation of acetylene and ethylene

(2011) Sheng-Chang Xiang et al.   Nature Communications

Mercaptosilane-Assisted Synthesis of Metal Clusters within Zeolites and Catalytic Consequences of Encapsulation

(2010) Minkee Choi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Beamline I11 at Diamond: A new instrument for high resolution powder diffraction

(2009) S. P. Thompson et al.   REVIEW OF SCIENTIFIC INSTRUMENTS