Competitive I 2 Sorption by Cu-BTC from Humid Gas Streams
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journal
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June 2013 |
A Chemically Functionalizable Nanoporous Material [Cu3(TMA)2(H2O)3]n
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journal
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February 1999 |
Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
A porous metal–organic framework formed by a V-shaped ligand and Zn( ii ) ion with highly selective sensing for nitroaromatic explosives
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January 2015 |
Hydrogen Storage in Metal–Organic Frameworks
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September 2011 |
Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)
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journal
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August 2014 |
Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH 4 and CO 2 in ZIF-8
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journal
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July 2012 |
Li-decorated metal organic framework 5: A route to achieving a suitable hydrogen storage medium
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December 2007 |
Enhanced O 2 Selectivity versus N 2 by Partial Metal Substitution in Cu-BTC
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March 2015 |
Projector augmented-wave method
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December 1994 |
Gas Membrane Selectivity Enabled by Zeolitic Imidazolate Framework Electrostatics
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June 2014 |
Predicting Methane Storage in Open-Metal-Site Metal–Organic Frameworks
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June 2015 |
Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites
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March 2012 |
Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology
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January 2013 |
Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N 2 and CH 4
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December 2013 |
Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory
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March 2015 |
Metal–organic framework materials as catalysts
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January 2009 |
Catalysis by metal–organic frameworks in water
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January 2014 |
Rational Design, Synthesis, Purification, and Activation of Metal−Organic Framework Materials
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journal
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August 2010 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Hydrogen adsorption in a nickel based coordination polymer with open metal sites in the cylindrical cavities of the desolvated framework
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journal
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January 2006 |
Energy Efficiency of Oxygen Enriched Air Production Technologies: Cryogeny vs Membranes
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journal
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January 2014 |
An In Situ High-Temperature Single-Crystal Investigation of a Dehydrated Metal-Organic Framework Compound and Field-Induced Magnetization of One-Dimensional Metal-Oxygen Chains
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journal
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October 2005 |
Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X-ray Powder Diffraction Experiments
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journal
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June 2013 |
Small-Molecule Adsorption in Open-Site Metal–Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design
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journal
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January 2015 |
Thermodynamic and Economic Aspects of the Hard Coal Based Oxyfuel Cycle
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journal
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April 2005 |
Investigation of structure and dynamics of the hydrated metal–organic framework MIL-53(Cr) using first-principles molecular dynamics
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journal
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January 2013 |
A Dynamic Model of a Pressure Swing Oxygen Generation System
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journal
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June 1985 |
Selective Binding of O 2 over N 2 in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites
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journal
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September 2011 |
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
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journal
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August 1995 |
Air separation and liquefaction: recent developments and prospects for the beginning of the new millennium
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journal
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January 2002 |
Density Functional Methods for Fast Screening of Metal–Organic Frameworks for Hydrogen Storage
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journal
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February 2015 |
Ab Initio Derived Force Fields for Predicting CO 2 Adsorption and Accessibility of Metal Sites in the Metal–Organic Frameworks M-MOF-74 (M = Mn, Co, Ni, Cu)
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journal
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June 2015 |
Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst
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journal
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October 2013 |
A parametric study of a PSA process for pre-combustion CO2 capture
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journal
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February 2013 |
Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks
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journal
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August 2011 |
CO 2 Capture by Metal–Organic Frameworks with van der Waals Density Functionals
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journal
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May 2012 |
Studies on Metal–Organic Frameworks of Cu(II) with Isophthalate Linkers for Hydrogen Storage
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journal
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October 2013 |
Water Cluster Confinement and Methane Adsorption in the Hydrophobic Cavities of a Fluorinated Metal–Organic Framework
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journal
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August 2013 |
Highly selective adsorption of ethylene over ethane in a MOF featuring the combination of open metal site and π-complexation
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journal
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January 2015 |
Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks
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journal
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April 2015 |
Effect of Metal in M 3 (btc) 2 and M 2 (dobdc) MOFs for O 2 /N 2 Separations: A Combined Density Functional Theory and Experimental Study
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journal
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March 2015 |
Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations
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journal
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July 2013 |
Base-Induced Formation of Two Magnesium Metal-Organic Framework Compounds with a Bifunctional Tetratopic Ligand
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journal
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August 2008 |
Accelerating Applications of Metal–Organic Frameworks for Gas Adsorption and Separation by Computational Screening of Materials
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journal
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July 2012 |
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
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journal
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February 1997 |
Free energy barriers for CO 2 and N 2 in zeolite NaKA: an ab initio molecular dynamics approach
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journal
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January 2014 |
Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8
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journal
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August 2014 |
A novel acylamide MOF showing self-catenated hxg-d-4-Fddd nets with 3-fold interpenetration and highly selective adsorption of CO2 over N2, CH4, and CO
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journal
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November 2014 |
Highly-Selective and Reversible O2 Binding in Cr3(1,3,5-benzenetricarboxylate)2
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journal
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June 2010 |
H 2 O Adsorption/Desorption in MOF-74: Ab Initio Molecular Dynamics and Experiments
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journal
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May 2015 |
Water adsorption on a copper formate paddlewheel model of CuBTC: A comparative MP2 and DFT study
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journal
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November 2013 |
A Multiscale Study of MOFs as Adsorbents in H 2 PSA Purification
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journal
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July 2013 |
An amine-functionalized metal–organic framework as a sensing platform for DNA detection
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journal
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January 2014 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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journal
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October 1996 |
High gas storage capacities and stepwise adsorption in a UiO type metal–organic framework incorporating Lewis basic bipyridyl sites
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journal
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January 2014 |
Structural Changes and Coordinatively Unsaturated Metal Atoms on Dehydration of Honeycomb Analogous Microporous Metal–Organic Frameworks
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journal
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March 2008 |
Water Adsorption in Flexible Gallium-Based MIL-53 Metal–Organic Framework
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journal
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March 2014 |
Highly Selective Adsorption and Separation of Aniline/Phenol from Aqueous Solutions by Microporous MIL-53(Al): A Combined Experimental and Computational Study
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journal
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October 2014 |
Improving Predictions of Gas Adsorption in Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites: Model Potentials, ab initio Parameterization, and GCMC Simulations
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journal
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August 2012 |
Predicting Low-Pressure O 2 Adsorption in Nanoporous Framework Materials for Sensing Applications
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journal
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October 2013 |
A highly robust metal–organic framework based on an aromatic 12-carboxyl ligand with highly selective adsorption of CO 2 over CH 4
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journal
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January 2015 |
Comparing van der Waals Density Functionals for CO 2 Adsorption in Metal Organic Frameworks
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journal
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August 2012 |
Engineering Metal Organic Frameworks for Heterogeneous Catalysis
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journal
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August 2010 |
Porous Metal–Organic Frameworks for Heterogeneous Biomimetic Catalysis
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journal
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February 2014 |
Metal–Organic Frameworks for Separations
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journal
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September 2011 |
Metal-Organic Frameworks for Oxygen Storage
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journal
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October 2014 |
Metal–Organic Framework Materials as Chemical Sensors
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journal
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September 2011 |
On the Mechanism Behind the Instability of Isoreticular Metal-Organic Frameworks (IRMOFs) in Humid Environments
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journal
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August 2012 |
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
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journal
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January 2006 |
How Can a Hydrophobic MOF be Water-Unstable? Insight into the Hydration Mechanism of IRMOFs
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journal
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July 2012 |
Porous Metal–Organic Frameworks for Gas Storage and Separation: What, How, and Why?
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journal
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September 2014 |
Reversible and Selective O 2 Chemisorption in a Porous Metal–Organic Host Material
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journal
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July 2011 |
Mixed-Valence Iron(II, III) Trimesates with Open Frameworks Modulated by Solvents
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journal
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September 2007 |
A copper-based metal–organic framework constructed from a new tetracarboxylic acid for selective gas separation
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journal
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November 2014 |
How ligands improve the hydrothermal stability and affect the adsorption in the IRMOF family
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journal
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January 2013 |
Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8
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journal
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August 2011 |
Toward Rational Design of Metal–Organic Frameworks for Sensing Applications: Efficient Calculation of Adsorption Characteristics in Zero Loading Regime
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journal
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January 2012 |
Separation of gas mixtures using Co(ii) carborane-based porous coordination polymers
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journal
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January 2010 |
Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites
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journal
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September 2011 |
A two dimensional microporous metal-organic framework for selective gas separation
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journal
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December 2014 |
Rapid Pressure Swing Adsorption for Reduction of Bed Size Factor of a Medical Oxygen Concentrator
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journal
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July 2011 |
Accurate Prediction of Methane Adsorption in a Metal–Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation
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journal
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October 2011 |
A new method for diagonalising large matrices
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journal
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June 1985 |
Competitive Coadsorption of CO 2 with H 2 O, NH 3 , SO 2 , NO, NO 2 , N 2 , O 2 , and CH 4 in M-MOF-74 (M = Mg, Co, Ni): The Role of Hydrogen Bonding
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journal
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March 2015 |
Ultrafast high-performance extraction of uranium from seawater without pretreatment using an acylamide- and carboxyl-functionalized metal–organic framework
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journal
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January 2015 |