Related references
Note: Only part of the references are listed.Highly Selective, High-Capacity Separation of o-Xylene from C8 Aromatics by a Switching Adsorbent Layered Material
Shi-Qiang Wang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
Christoph Bannwarth et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Metal-Organic Framework Containing Planar Metal-Binding Sites: Efficiently and Cost-Effectively Enhancing the Kinetic Separation of C2H2/C2H4
Jia Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Fluorinated MOF platform for selective removal and sensing of SO2 from flue gas and air
M. R. Tchalala et al.
NATURE COMMUNICATIONS (2019)
A Tailor-Made Interpenetrated MOF with Exceptional Carbon-Capture Performance from Flue Gas
Weibin Liang et al.
CHEM (2019)
A Robust Squarate-Based Metal-Organic Framework Demonstrates Record-High Affinity and Selectivity for Xenon over Krypton
Liangying Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Intermediate-sized molecular sieving of styrene from larger and smaller analogues
Dong-Dong Zhou et al.
NATURE MATERIALS (2019)
Solvent-directed control over the topology of entanglement in square lattice (sql) coordination networks
Rana Sanii et al.
CHEMICAL COMMUNICATIONS (2019)
Impact of partial interpenetration in a hybrid ultramicroporous material on C2H2/C2H4 separation performance
Daniel O'Nolan et al.
CHEMICAL COMMUNICATIONS (2018)
Flexibility in Metal-Organic Frameworks: A fundamental understanding
Sameh K. Elsaidi et al.
COORDINATION CHEMISTRY REVIEWS (2018)
Hexafluorogermanate (GeFSIX) Anion-Functionalized Hybrid Ultramicroporous Materials for Efficiently Trapping Acetylene from Ethylene
Zhaoqiang Zhang et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2018)
Methodologies for screening and selection of crystalline microporous materials in mixture separations
Rajamani Krishna
SEPARATION AND PURIFICATION TECHNOLOGY (2018)
Hydrolytic stability in hemilabile metal-organic frameworks
Lauren N. McHugh et al.
NATURE CHEMISTRY (2018)
Molecular Sieving of Ethane from Ethylene through the Molecular Cross-Section Size Differentiation in Gallate-based Metal-Organic Frameworks
Zongbi Bao et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Simultaneous Trapping of C2H2 and C2H6 from a Ternary Mixture of C2H2/C2H4/C2H6 in a Robust Metal-Organic Framework for the Purification of C2H4
Hong-Guo Hao et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Molecular sieving of ethylene from ethane using a rigid metal-organic framework
Rui-Biao Lin et al.
NATURE MATERIALS (2018)
Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites
Libo Li et al.
SCIENCE (2018)
Water Vapor Sorption in Hybrid Pillared Square Grid Materials
Daniel O'Nolan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material
Rui-Biao Lin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Controlling guest conformation for efficient purification of butadiene
Pei-Qin Liao et al.
SCIENCE (2017)
Screening metal-organic frameworks for mixture separations in fixed-bed adsorbers using a combined selectivity/capacity metric
Rajamani Krishna
RSC ADVANCES (2017)
Sorting of C4 Olefins with Interpenetrated Hybrid Ultramicroporous Materials by Combining Molecular Recognition and Size-Sieving
Zhaoqiang Zhang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
An Ideal Molecular Sieve for Acetylene Removal from Ethylene with Record Selectivity and Productivity
Bin Li et al.
ADVANCED MATERIALS (2017)
The effect of centred versus offset interpenetration on C2H2 sorption in hybrid ultramicroporous materials
Alankriti Bajpai et al.
CHEMICAL COMMUNICATIONS (2017)
Seven chemical separations to change the world
David S. Sholl et al.
NATURE (2016)
Crystalline coordination framework endowed with dynamic gate-opening behaviour by being downsized to a thin film
Shun Sakaida et al.
NATURE CHEMISTRY (2016)
Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene
Xili Cui et al.
SCIENCE (2016)
A metal-organic framework-based splitter for separating propylene from propane
A. Cadiau et al.
SCIENCE (2016)
Benchmark C2H2/CO2 and CO2/C2H2 Separation by Two Closely Related Hybrid Ultramicroporous Materials
Kai-Jie Chen et al.
CHEM (2016)
Porous Materials and the Age of Gas
Susumu Kitagawa
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
CO2 capture from humid flue gases and humid atmosphere using a microporous coppersilicate
Shuvo Jit Datta et al.
SCIENCE (2015)
Methodologies for evaluation of metal-organic frameworks in separation applications
Rajamani Krishna
RSC ADVANCES (2015)
The Maxwell-Stefan description of mixture diffusion in nanoporous crystalline materials
Rajamani Krishna
MICROPOROUS AND MESOPOROUS MATERIALS (2014)
Self-Accelerating CO Sorption in a Soft Nanoporous Crystal
Hiroshi Sato et al.
SCIENCE (2014)
The Chemistry and Applications of Metal-Organic Frameworks
Hiroyasu Furukawa et al.
SCIENCE (2013)
Diffusion in porous crystalline materials
Rajamani Krishna
CHEMICAL SOCIETY REVIEWS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm
Tian Lu et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2012)
Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal-Organic Framework
Kyriakos C. Stylianou et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases
Magdalena M. Lozinska et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules
Madhab C. Das et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
Eric D. Bloch et al.
SCIENCE (2012)
Differences of crystal structure and dynamics between a soft porous nanocrystal and a bulk crystal
Yuh Hijikata et al.
CHEMICAL COMMUNICATIONS (2011)
Tuning of Gate Opening of an Elastic Layered Structure MOF in CO2 Sorption with a Trace of Alcohol Molecules
Yan Cheng et al.
LANGMUIR (2011)
Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework
M. Infas H. Mohideen et al.
NATURE CHEMISTRY (2011)
In silico screening of metal-organic frameworks in separation applications
Rajamani Krishna et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Rapid Synthesis of Nitrogen-Doped Porous Carbon Monolith for CO2 Capture
Guang-Ping Hao et al.
ADVANCED MATERIALS (2010)
In silico screening of zeolite membranes for CO2 capture
Rajamani Krishna et al.
JOURNAL OF MEMBRANE SCIENCE (2010)
Describing Mixture Diffusion in Microporous Materials under Conditions of Pore Saturation
Rajamani Krishna et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Rapid preparation of flexible porous coordination polymer nanocrystals with accelerated guest adsorption kinetics
Daisuke Tanaka et al.
NATURE CHEMISTRY (2010)
Guest-Induced Irreversible Sliding in a Flexible 2D Rectangular Grid with Selective Sorption Characteristics
K. L. Gurunatha et al.
INORGANIC CHEMISTRY (2009)
Describing the Diffusion of Guest Molecules Inside Porous Structures
Rajamani Krishna
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Insights into diffusion of gases in zeolites gained from molecular dynamics simulations
R. Krishna et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2008)
Adsorption selectivity of benzene/propene mixtures for various zeolites
Shuai Ban et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Novel expansion/shrinkage modulation of 2D layered MOF triggered by clathrate formation with CO2 molecules
Atsushi Kondo et al.
NANO LETTERS (2006)
Diffusion of acetylene inside Na-Y zeolite: Molecular dynamics simulation studies
Siddharth Gautam et al.
PHYSICAL REVIEW E (2006)
Diffusion of alkane mixtures in zeolites: Validating the Maxwell-Stefan formulation using MD simulations
R Krishna et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
First-principles simulation: ideas, illustrations and the CASTEP code
MD Segall et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)