Related references
Note: Only part of the references are listed.Porous Organic Materials: Strategic Design and Structure-Function Correlation
Saikat Das et al.
CHEMICAL REVIEWS (2017)
Best Practices for the Synthesis, Activation, and Characterization of Metal-Organic Frameworks
Ashlee J. Howarth et al.
CHEMISTRY OF MATERIALS (2017)
High-Temperature Hydrogen Storage of Multiple Molecules: Theoretical Insights from Metalated Catechols
Ehud Tsivion et al.
CHEMPHYSCHEM (2017)
Balancing gravimetric and volumetric hydrogen density in MOFs
Alauddin Ahmed et al.
ENERGY & ENVIRONMENTAL SCIENCE (2017)
Techno-economic Analysis of Metal-Organic Frameworks for Hydrogen and Natural Gas Storage
Daniel DeSantis et al.
ENERGY & FUELS (2017)
Metal-organic frameworks meet scalable and sustainable synthesis
Patrick A. Julien et al.
GREEN CHEMISTRY (2017)
Pitfalls in the characterisation of the hydrogen sorption properties of materials
D. P. Broom et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)
Extension of the D3 dispersion coefficient model
Eike Caldeweyher et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?
Jonathon Witte et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture
Matthew Witman et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Molecular Insight into Assembly Mechanisms of Porous Aromatic Frameworks
Andrew Tarzia et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
Narbe Mardirossian et al.
MOLECULAR PHYSICS (2017)
The rotational dynamics of H2 adsorbed in covalent organic frameworks
Tony Pham et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Recent advances and remaining challenges of nanostructured materials for hydrogen storage applications
Xuebin Yu et al.
PROGRESS IN MATERIALS SCIENCE (2017)
How Reproducible Are Isotherm Measurements in Metal-Organic Frameworks?
Jongwoo Park et al.
CHEMISTRY OF MATERIALS (2017)
Understanding Volumetric and Gravimetric Hydrogen Adsorption Trade-off in Metal-Organic Frameworks
Diego A. Gomez-Gualdron et al.
ACS APPLIED MATERIALS & INTERFACES (2017)
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks
Bess Vlaisavljevich et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Gas adsorption properties of graphene-based materials
Barbara Szczesniak et al.
ADVANCES IN COLLOID AND INTERFACE SCIENCE (2017)
Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage
Aaron W. Thornton et al.
CHEMISTRY OF MATERIALS (2017)
Nuclear quantum effects on adsorption of H2 and isotopologues on metal ions
Ievgeniia Savchenko et al.
CHEMICAL PHYSICS LETTERS (2017)
Dramatic Effect of the Electrostatic Parameters on H2 Sorption in an M-MOF-74 Analogue
Tony Pham et al.
CRYSTAL GROWTH & DESIGN (2016)
Synthesis of Ni/Graphene Nanocomposite for Hydrogen Storage
Chunyu Zhou et al.
ACS APPLIED MATERIALS & INTERFACES (2016)
Outlook and challenges for hydrogen storage in nanoporous materials
D. P. Broom et al.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2016)
An international multi-laboratory investigation of carbon-based hydrogen sorbent materials
Katherine E. Hurst et al.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2016)
Recommended volumetric capacity definitions and protocols for accurate, standardized and unambiguous metrics for hydrogen storage materials
Philip A. Parilla et al.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2016)
Adsorption of two gas molecules at a single metal site in a metal-organic framework
Tomce Runcevski et al.
CHEMICAL COMMUNICATIONS (2016)
Noncovalent Interactions by Quantum Monte Carlo
Matus Dubecky et al.
CHEMICAL REVIEWS (2016)
Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications
Jan Rezac et al.
CHEMICAL REVIEWS (2016)
Evaluating topologically diverse metal-organic frameworks for cryo-adsorbed hydrogen storage
Diego A. Gomez-Gualdron et al.
ENERGY & ENVIRONMENTAL SCIENCE (2016)
Irreproducibility in hydrogen storage material research
D. P. Broom et al.
ENERGY & ENVIRONMENTAL SCIENCE (2016)
Thermodynamics of Anharmonic Systems: Uncoupled Mode Approximations for Molecules
Yi-Pei Li et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
High-Throughput Screening of Metal-Organic Frameworks for Hydrogen Storage at Cryogenic Temperature
N. Scott Bobbitt et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Covalent Chemistry beyond Molecules
Juncong Jiang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal-Organic Frameworks
Arpan Kundu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
A Pyrene-Based, Fluorescent Three-Dimensional Covalent Organic Framework
Guiqing Lin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation
Feng Luo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Atomic-scale modeling of hydrogen storage in the UiO-66 and UiO-67 metal-organic frameworks
Stefan Andersson et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2016)
Formation mechanism of ultra porous framework materials
Pierre Fayon et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
Paul R. Horn et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Room-temperature hydrogen storage via two-dimensional potential well in mesoporous graphene oxide
Tae Hyung Kim et al.
NANO ENERGY (2016)
Investigation of the hydrogen adsorbed density inside the pores of MOF-5 from path integral grand canonical Monte Carlo at supercritical and subcritical temperature
David Durette et al.
SCIENCE BULLETIN (2016)
Transferable Next-Generation Force Fields from Simple Liquids to Complex Materials
J. R. Schmidt et al.
ACCOUNTS OF CHEMICAL RESEARCH (2015)
Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials
Lachlan P. Lindoy et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption Enthalpies
Yi-Pei Li et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Hydrogen storage in bulk graphene-related materials
Alexey G. Klechikov et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2015)
Recent progress in the synthesis of metal-organic frameworks
Yujia Sun et al.
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS (2015)
Hydrogenation-Assisted Graphene Origami and Its Application in Programmable Molecular Mass Uptake, Storage, and Release
Shuze Zhu et al.
ACS NANO (2014)
Scorpionate-Type Coordination in MFU-4l Metal-Organic Frameworks: Small-Molecule Binding and Activation upon the Thermally Activated Formation of Open Metal Sites
Dmytro Denysenko et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Synthesis of copolymerized porous organic frameworks with high gas storage capabilities at both high and low pressures
Cuiying Pei et al.
CHEMICAL COMMUNICATIONS (2014)
A 2D azine-linked covalent organic framework for gas storage applications
Zhongping Li et al.
CHEMICAL COMMUNICATIONS (2014)
Computation-Ready, Experimental Metal-Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
Yongchul G. Chung et al.
CHEMISTRY OF MATERIALS (2014)
Quantum Monte Carlo for Ab Initio Calculations of Energy-Relevant Materials
Lucas K. Wagner
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2014)
Physical origins of weak H2 binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons
Kanchan Ulman et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Effect of Anharmonicity on Adsorption Thermodynamics
GiovanniMaria Piccini et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Amorphous PAF-1: Guiding the Rational Design of Ultraporous Materials
Jens M. H. Thomas et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Enhanced Gas Adsorption on Graphitic Substrates via Defects and Local Curvature: A Density Functional Theory Study
Debosruti Dutta et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites
Matthew T. Kapelewski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Reusable Oxidation Catalysis Using Metal-Monocatecholato Species in a Robust Metal-Organic Framework
Honghan Fei et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Hydrogen Physisorption on Metal-Organic Framework Linkers and Metalated Linkers: A Computational Study of the Factors That Control Binding Strength
Ehud Tsivion et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Porous Polymers Based on Aryleneethynylene Building Blocks
Uwe H. F. Bunz et al.
MACROMOLECULAR RAPID COMMUNICATIONS (2014)
Water-Mediated Cooperative Migration of Chemisorbed Hydrogen on Graphene
Yufeng Zhao et al.
PHYSICAL REVIEW LETTERS (2014)
Density functional theory in the solid state
Philip J. Hasnip et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2014)
Evaluating metal-organic frameworks for natural gas storage
Jarad A. Mason et al.
CHEMICAL SCIENCE (2014)
Bottom-up approach to engineer a molybdenum-doped covalent-organic framework catalyst for selective oxidation reaction
Weijie Zhang et al.
RSC ADVANCES (2014)
Recent developments in first-principles force fields for molecules in nanoporous materials
Hanjun Fang et al.
JOURNAL OF MATERIALS CHEMISTRY A (2014)
An Anionic Microporous Polymer Network Prepared by the Polymerization of Weakly Coordinating Anions
Sabrina Fischer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Rapid and enhanced activation of microporous coordination polymers by flowing supercritical CO2
Baojian Liu et al.
CHEMICAL COMMUNICATIONS (2013)
Theoretical Limits of Hydrogen Storage in Metal-Organic Frameworks: Opportunities and Trade-Offs
Jacob Goldsmith et al.
CHEMISTRY OF MATERIALS (2013)
Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties
Huong Giang T. Nguyen et al.
CRYSTAL GROWTH & DESIGN (2013)
Activation of metal-organic framework materials
Joseph E. Mondloch et al.
CRYSTENGCOMM (2013)
H2 interaction with divalent cations in isostructural MOFs: a key study for variable temperature infrared spectroscopy
Sachin M. Chavan et al.
DALTON TRANSACTIONS (2013)
Hydrogen storage performance in palladium-doped graphene/carbon composites
Chien-Hung Chen et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2013)
Review of hydrogen storage techniques for on board vehicle applications
D. J. Durbin et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2013)
Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy
Matus Dubecky et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Impact of Metal and Anion Substitutions on the Hydrogen Storage Properties of M-BTT Metal-Organic Frameworks
Kenji Sumida et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Mn2(2,5-disulfhydrylbenzene-1,4-dicarboxylate): A Microporous Metal-Organic Framework with Infinite (-Mn-S-)∞ Chains and High Intrinsic Charge Mobility
Lei Sun et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons
Hyunchul Oh et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2013)
Rationally synthesized two-dimensional polymers
John W. Colson et al.
NATURE CHEMISTRY (2013)
Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase
Stefan Grimme et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
The Chemistry and Applications of Metal-Organic Frameworks
Hiroyasu Furukawa et al.
SCIENCE (2013)
Capture and conversion of CO2 at ambient conditions by a conjugated microporous polymer
Yong Xie et al.
NATURE COMMUNICATIONS (2013)
Transmetalation: routes to metal exchange within metal-organic frameworks
Marianne Lalonde et al.
JOURNAL OF MATERIALS CHEMISTRY A (2013)
Porous carbon-based materials for hydrogen storage: advancement and challenges
Yongde Xia et al.
JOURNAL OF MATERIALS CHEMISTRY A (2013)
High-Rate Charge-Carrier Transport in Porphyrin Covalent Organic Frameworks: Switching from Hole to Electron to Ambipolar Conduction
Xiao Feng et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Targeted synthesis of a porous borazine-linked covalent organic framework
Karl T. Jackson et al.
CHEMICAL COMMUNICATIONS (2012)
Hydrogen Storage in Metal-Organic Frameworks
Myunghyun Paik Suh et al.
CHEMICAL REVIEWS (2012)
Review and Analysis of Molecular Simulations of Methane, Hydrogen, and Acetylene Storage in Metal-Organic Frameworks
Rachel B. Getman et al.
CHEMICAL REVIEWS (2012)
Challenges for Density Functional Theory
Aron J. Cohen et al.
CHEMICAL REVIEWS (2012)
Postsynthetic Methods for the Functionalization of Metal-Organic Frameworks
Seth M. Cohen
CHEMICAL REVIEWS (2012)
Synthesis and Metalation of Catechol-Functionalized Porous Organic Polymers
Mitchell H. Weston et al.
CHEMISTRY OF MATERIALS (2012)
Post-Synthetic Modifications of Framework Metal Ions in Isostructural Metal-Organic Frameworks: Core-Shell Heterostructures via Selective Transmetalations
Xiaokai Song et al.
CHEMISTRY OF MATERIALS (2012)
Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory
Stefan Grimme
CHEMISTRY-A EUROPEAN JOURNAL (2012)
Metal@COFs: Covalent Organic Frameworks as Templates for Pd Nanoparticles and Hydrogen Storage Properties of Pd@COF-102 Hybrid Material
Suresh Babu Kalidindi et al.
CHEMISTRY-A EUROPEAN JOURNAL (2012)
Hydrogen adsorption in the metal-organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)
Wendy L. Queen et al.
DALTON TRANSACTIONS (2012)
Comparative Study of Activation Methods on Tuning Gas Sorption Properties of a Metal-Organic Framework with Nanosized Ligands
Yan-Ping He et al.
INORGANIC CHEMISTRY (2012)
Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal-Organic Frameworks
William Morris et al.
INORGANIC CHEMISTRY (2012)
Diffusion monte carlo study of the hydrogen molecules adsorbed on C4H3Li
Xiaoxu Jiang et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2012)
Hydrogen adsorbed in a metal organic framework-5: Coupled translation-rotation eigenstates from quantum five-dimensional calculations
Ivana Matanovic et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Hydrogen diffusion in potassium intercalated graphite studied by quasielastic neutron scattering
Justin Purewal et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Transport in nanoporous zeolites: Relationships between sorbate size, entropy, and diffusivity
Bhaskar J. Borah et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
Jiri Klimes et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Hydrogen Storage in High Surface Area Carbons with Identical Surface Areas but Different Pore Sizes: Direct Demonstration of the Effects of Pore Size
Eric Masika et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
Jess Wellendorff et al.
PHYSICAL REVIEW B (2012)
Metal-Organic Frameworks: A Rapidly Growing Class of Versatile Nanoporous Materials
Scott T. Meek et al.
ADVANCED MATERIALS (2011)
Highly Stable Porous Polymer Networks with Exceptionally High Gas-Uptake Capacities
Daqiang Yuan et al.
ADVANCED MATERIALS (2011)
Metal-Organic Conjugated Microporous Polymers
Jia-Xing Jiang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
A first-principles study of calcium-decorated, boron-doped graphene for high capacity hydrogen storage
Elham Beheshti et al.
CARBON (2011)
Metallocenes@COF-102: organometallic host-guest chemistry of porous crystalline organic frameworks
Suresh Babu Kalidindi et al.
CHEMICAL COMMUNICATIONS (2011)
Hydrogen storage properties and neutron scattering studies of Mg-2(dobdc)-a metal-organic framework with open Mg2+ adsorption sites
Kenji Sumida et al.
CHEMICAL COMMUNICATIONS (2011)
Enthalpy-Entropy Correlation for Hydrogen Adsorption on MOFs: Variable-Temperature FTIR Study of Hydrogen Adsorption on MIL-100(Cr) and MIL-101(Cr)
Gemma Turnes Palomino et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2011)
Characterisation of porous hydrogen storage materials: carbons, zeolites, MOFs and PIMs
Steven Tedds et al.
FARADAY DISCUSSIONS (2011)
Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations
Jie Ma et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Assessing weak hydrogen binding on Ca+ centers: An accurate many-body study with large basis sets
Wirawan Purwanto et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model
Shao-Nung Huang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Understanding the mechanism of hydrogen uptake at low pressure in carbon/palladium nanostructured composites
Camelia Matei Ghimbeu et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
Hydrogen Storage Capacity of Carbon-Foams: Grand Canonical Monte Carlo Simulations
Abhishek K. Singh et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Construction of Covalent Organic Framework for Catalysis: Pd/COF-LZU1 in Suzuki-Miyaura Coupling Reaction
San-Yuan Ding et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Comment to the Response to Hydrogen adsorption in Pt catalyst/MOF-5 materials by Li et al. [1]
S. M. Luzan et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2011)
Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory
Yirong Mo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
Jianwei Sun et al.
PHYSICAL REVIEW B (2011)
Photochemical Activation of a Metal-Organic Framework to Reveal Functionality
Kristine K. Tanabe et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Graphene Oxide Framework Materials: Theoretical Predictions and Experimental Results
Jacob W. Burress et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
The synthesis and characterization of a super-activated carbon containing substitutional boron (BCX) and its applications in hydrogen storage
Youmi Jeong et al.
CARBON (2010)
Hydrogen storage in carbon nanotubes revisited
Chang Liu et al.
CARBON (2010)
Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
Kevin E. Riley et al.
CHEMICAL REVIEWS (2010)
Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation
Weigang Lu et al.
CHEMISTRY OF MATERIALS (2010)
Thermodynamics of Hydrogen Adsorption on Metal-Organic Frameworks
Carlos O. Arean et al.
CHEMPHYSCHEM (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Two-Phase Thermodynamic Model for Efficient and Accurate Absolute Entropy of Water from Molecular Dynamics Simulations
Shiang-Tai Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Solution-Phase Synthesis of Heteroatom-Substituted Carbon Scaffolds for Hydrogen Storage
Zhong Jin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Metal Insertion in a Microporous Metal-Organic Framework Lined with 2,2′-Bipyridine
Eric D. Bloch et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Hydrogen adsorption in Pt catalyst/MOF-5 materials
Serhiy M. Luzan et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2010)
Optimal isosteric heat of adsorption for hydrogen storage and delivery using metal-organic frameworks
Youn-Sang Bae et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2010)
Response to hydrogen adsorption in Pt catalyst/MOF-5 materials by Luzan and Talyzin
Yingwei Li et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2010)
Remarks about spillover and hydrogen adsorption - Comments on the contributions of AV Talyzin and RT Yang
Michael Hirscher
MICROPOROUS AND MESOPOROUS MATERIALS (2010)
Measurements of Hydrogen Spillover in Platinum Doped Superactivated Carbon
Nicholas P. Stadie et al.
LANGMUIR (2010)
Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage
Hoonkyung Lee et al.
NANO LETTERS (2010)
De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities
Omar K. Farha et al.
NATURE CHEMISTRY (2010)
Hydrogen spillover measurements of unbridged and bridged metal-organic frameworks-revisited
Renato Campesi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Quantum Monte Carlo calculations of dihydrogen binding energetics on Ca cations: An assessment of errors in density functionals for weakly bonded systems
Michal Bajdich et al.
PHYSICAL REVIEW B (2010)
Hydrogen Storage Properties of B- and N-Doped Microporous Carbon
Lifeng Wang et al.
AICHE JOURNAL (2009)
Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area
Teng Ben et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Recent advances on simulation and theory of hydrogen storage in metal-organic frameworks and covalent organic frameworks
Sang Soo Han et al.
CHEMICAL SOCIETY REVIEWS (2009)
Preferred Hydrogen Adsorption Sites in Various MOFs-A Comparative Computational Study
Michael Fischer et al.
CHEMPHYSCHEM (2009)
Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal-Organic Framework Materials
Seda Keskin et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2009)
Calculation of hydrogen storage capacity of metal-organic and covalent-organic frameworks by spillover
Mayur Suri et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Ab Initio Study of Molecular Hydrogen Adsorption in Covalent Organic Framework-1
Pornjuk Srepusharawoot et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Ab Initio Study of Hydrogen Adsorption in MOF-5
Kaido Sillar et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Catalyzed Hydrogen Spillover for Hydrogen Storage
Ralph T. Yang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Supercritical Processing as a Route to High Internal Surface Areas and Permanent Microporosity in Metal-Organic Framework Materials
Andrew P. Nelson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy Applications
Hiroyasu Furukawa et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
A Crystalline Imine-Linked 3-D Porous Covalent Organic Framework
Fernando J. Uribe-Romo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Isoreticular Metalation of Metal-Organic Frameworks
Christian J. Doonan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks
Sunirban Das et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Ab initio calculations predicting the existence of an oxidized calcium dihydrogen complex to store molecular hydrogen in densities up to 100 g/L
Yong-Hyun Kim et al.
PHYSICAL REVIEW B (2009)
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
Alexandre Tkatchenko et al.
PHYSICAL REVIEW LETTERS (2009)
A crystalline mesoporous coordination copolymer with high microporosity
Kyoungmoo Koh et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Hydrogen storage in microporous metal-organic frameworks with exposed metal sites
Mircea Dinca et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Porous, covalent triazine-based frameworks prepared by ionothermal synthesis
Pierre Kuhn et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Thermodynamics of hydrogen adsorption on the zeolite Ca-Y
G. Turnes Palomino et al.
CATALYSIS TODAY (2008)
Enthalpy-entropy correlation for hydrogen adsorption on zeolites
E. Garrone et al.
CHEMICAL PHYSICS LETTERS (2008)
Synthesis of microporous boron-substituted carbon (B/C) materials using polymeric precursors for hydrogen physisorption
T. C. Mike Chung et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Role of exposed metal sites in hydrogen storage in MOFs
Jenny G. Vitillo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Enhanced H2 Adsorption in Isostructural Metal-Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions
Wei Zhou et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Surface interactions and quantum kinetic molecular sieving for H2 and D2 adsorption on a mixed metal-organic framework material
Banglin Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Reticular synthesis of covalent organic borosilicate frameworks
Joseph R. Hunt et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Isotope tracer study of hydrogen spillover on carbon-based adsorbents for hydrogen storage
Anthony J. Lachawiec et al.
LANGMUIR (2008)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Orbital-dependent density functionals: Theory and applications
Stephan Kummel et al.
REVIEWS OF MODERN PHYSICS (2008)
Reticular synthesis of microporous and mesoporous 2D covalent organic frameworks
Adrien P. Cote et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Inelastic neutron scattering of H2 adsorbed in HKUST-1
Y. Liu et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2007)
Fundamentals of H2 binding and reactivity on transition metals underlying hydrogenase function and H2 production and storage
Gregory J. Kubas
CHEMICAL REVIEWS (2007)
Ab initio investigation of molecular hydrogen physisorption on graphene and carbon nanotubes
D. Henwood et al.
PHYSICAL REVIEW B (2007)
Designed synthesis of 3D covalent organic frameworks
Hani M. El-Kaderi et al.
SCIENCE (2007)
Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic molecules
Stefan Grimme et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2007)
Ruthenium complexes carrying hydride, dihydrogen, and phosphine ligands: Reversible hydrogen release
Mary Grellier et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Observation of Cu2+-H-2 interactions in a fully desolvated sodalite-type metal-organic framework
Mircea Dinca et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Hydrogen storage in a microporous metal-organic framework with exposed Mn2+ coordination sites
Mircea Dinca et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
A bird's-eye view of density-functional theory
Klaus Capelle
BRAZILIAN JOURNAL OF PHYSICS (2006)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Hydrogen storage in metal-organic frameworks by bridged hydrogen spillover
Yingwei Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Hydrogen capacity of palladium-loaded carbon materials
A Ansón et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Optimum conditions for adsorptive storage
SK Bhatia et al.
LANGMUIR (2006)
Nondissociative adsorption of H2 molecules in light-element-doped fullerenes -: art. no. 016102
YH Kim et al.
PHYSICAL REVIEW LETTERS (2006)
Density functional theory including dispersion corrections for intermolecular interactions in a large benchmark set of biologically relevant molecules
Jens Antony et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Synthesis, neutron structure, and reactivity of the bis(dihydrogen) complex RuH2(η2-H2)2(PCyp3)2 stabilized by two tricyclopentylphosphines
M Grellier et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Porous, crystalline, covalent organic frameworks
AP Côté et al.
SCIENCE (2005)
Direct observation of hydrogen adsorption sites and nanocage formation in metal-organic frameworks
T Yildirim et al.
PHYSICAL REVIEW LETTERS (2005)
A density functional theory study of hydrogen adsorption in MOF-5
T Mueller et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations
AI Skoulidas et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Hydrogen adsorption in different carbon nanostructures
B Panella et al.
CARBON (2005)
Strong H2 binding and selective gas adsorption within the microporous coordination solid Mg3(O2C-C10H6-CO2)3
M Dinca et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Homochiral porous metal-organic framework for highly enantioselective heterogeneous asymmetric catalysis
CD Wu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Molecular simulation of adsorption and diffusion of hydrogen in metal-organic frameworks
QY Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes
HS Cheng et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
High H-2 adsorption in a microporous metal-organic framework with open metal sites
BL Chen et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Van der Waals density functional for general geometries -: art. no. 246401
M Dion et al.
PHYSICAL REVIEW LETTERS (2004)
Can Cu+-exchanged zeolites store molecular hydrogen?: An ab-initio periodic study compared with low-temperature FTIR
X Solans-Monfort et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Hydrogen storage in microporous metal-organic frameworks
NL Rosi et al.
SCIENCE (2003)
A robust microporous zinc porphyrin framework solid
DW Smithenry et al.
INORGANIC CHEMISTRY (2003)
Molecular modeling study of hydrogen storage in carbon nanotubes
H Dodziuk et al.
CHEMICAL PHYSICS LETTERS (2002)
Porphyrin-based nanoporous network polymers
NB McKeown et al.
CHEMICAL COMMUNICATIONS (2002)
Cu2(ATC)•6H2O:: Design of open metal sites in porous metal-organic crystals (ATC:1,3,5,7-adamantane tetracarboxylate)
BL Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
X-ray crystal structure of the bis(dihydrogen) complex RuH2(H-2)(2)(PCy3)(2)
AF Borowski et al.
CHEMICAL COMMUNICATIONS (2000)
Share Paper
