Large-scale screening of hypothetical metal-organic frameworks. - Wikidata - thesis-toulmin - TriplyDB

Large-scale screening of hypothetical metal-organic frameworks.

Large-scale screening of hypothetical metal-organic frameworks.

http://www.wikidata.org/entity/Q34136626

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In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm Metal-organic framework with optimally selective xenon adsorption and separation The Harvard organic photovoltaic dataset Accurate van der Waals force field for gas adsorption in porous materials.Electronic chemical potentials of porous metal-organic frameworks.Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage Quantifying similarity of pore-geometry in nanoporous materials Tuning the Electronic Structure of Anatase Through Fluorination The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials.Organised chaos: entropy in hybrid inorganic-organic systems and other materials In silico prediction and screening of modular crystal structures via a high-throughput genomic approach.An Efficient Synthesis Strategy for Metal-Organic Frameworks: Dry-Gel Synthesis of MOF-74 Framework with High Yield and Improved Performance Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture.Methane storage in advanced porous materials.Solvent-assisted linker exchange: an alternative to the de novo synthesis of unattainable metal-organic frameworks.Multifunctional metal-organic frameworks constructed from meta-benzenedicarboxylate units.Chemical vapour deposition of zeolitic imidazolate framework thin films.Porous materials. Function-led design of new porous materials.Relationship between Pore-size Distribution and Flexibility of Adsorbent Materials: Statistical Mechanics and Future Material Characterization Techniques.Commensurate-incommensurate adsorption and diffusion in ordered crystalline microporous materials.Grand Challenges and Future Opportunities for Metal-Organic Frameworks.Surface-supported metal-organic framework thin films: fabrication methods, applications, and challenges.Efficiently mapping structure-property relationships of gas adsorption in porous materials: application to Xe adsorption.Modeling adsorption properties of structurally deformed metal-organic frameworks using structure-property map.Metal-organic and covalent organic frameworks as single-site catalysts.Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74.Probing ice VII crystallization from amorphous NaCl-D2O solutions at gigapascal pressures.Impact of distributions on the archetypes and prototypes in heterogeneous nanoparticle ensembles.Probing gas adsorption in MOFs using an efficient ab initio widom insertion Monte Carlo method.Gas/vapour separation using ultra-microporous metal-organic frameworks: insights into the structure/separation relationship.Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks.Simulated evolution of fluorophores for light emitting diodes.QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.In silico design of supramolecules from their precursors: odd-even effects in cage-forming reactions Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling.Functional materials discovery using energy-structure-function maps.Effect of pore size and shape on the thermal conductivity of metal-organic frameworks.Materials design by evolutionary optimization of functional groups in metal-organic frameworks.Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.

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P2860

Large-scale screening of hypothetical metal-organic frameworks.

http://www.wikidata.org/entity/Q34136626

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2011 nî lūn-bûn

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2011 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած

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2011 թվականի նոյեմբերին հրատարակված գիտական հոդված

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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Large-scale screening of hypothetical metal-organic frameworks.

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P1433

Nature Chemistry

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Large-scale screening of hypothetical metal-organic frameworks.

@en

P2093

Brad G Hauser

http://www.w3.org/2001/XMLSchema#string

Chang Yeon Lee

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Christopher E Wilmer

http://www.w3.org/2001/XMLSchema#string

Michael Leaf

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P2860

Hydrogen storage in microporous metal-organic frameworks

Hydrogen storage in metal-organic frameworks

Ultrahigh porosity in metal-organic frameworks

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Pore size analysis of >250,000 hypothetical zeolites.

A homochiral metal-organic porous material for enantioselective separation and catalysis

Modular chemistry: secondary building units as a basis for the design of highly porous and robust metal-organic carboxylate frameworks.

Reticular synthesis and the design of new materials.

Permanent microporosity and enantioselective sorption in a chiral open framework.

Reticular chemistry: occurrence and taxonomy of nets and grammar for the design of frameworks.

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83-89

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10.1038/NCHEM.1192

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2

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4

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Randall Q Snurr

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2011-11-06T00:00:00Z

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1049976195

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22270624

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metal-organic framework