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High-throughput screening of metal-porphyrin-like graphenes for selective capture of carbon dioxideAccurate van der Waals force field for gas adsorption in porous materials.Rational design of inorganic dielectric materials with expected permittivity.A hybrid absorption-adsorption method to efficiently capture carbon.Integrated CO2 capture-fixation chemistry via interfacial ionic liquid catalyst in laminar gas/liquid flow.Mechanochemically Activated, Calcium Oxide-Based, Magnesium Oxide-Stabilized Carbon Dioxide Sorbents.Directed evolution of an ultrastable carbonic anhydrase for highly efficient carbon capture from flue gas.In silico prediction and screening of modular crystal structures via a high-throughput genomic approach.Tunable integration of absorption-membrane-adsorption for efficiently separating low boiling gas mixtures near normal temperature.Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.Finely tuning MOFs towards high-performance post-combustion CO2 capture materials.Computational evaluation of aluminophosphate zeotypes for CO2/N2 separation.Modeling adsorption properties of structurally deformed metal-organic frameworks using structure-property map.Evaluation of Metal-Organic Frameworks and Porous Polymer Networks for CO2 -Capture Applications.Carbon Capture and Storage: introductory lecture.Revealing the structure-property relationship of covalent organic frameworks for CO₂ capture from postcombustion gas: a multi-scale computational study.Probing gas adsorption in MOFs using an efficient ab initio widom insertion Monte Carlo method.Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling.Ab initio carbon capture in open-site metal-organic frameworks.Understanding CO2 dynamics in metal-organic frameworks with open metal sites.Spiers Memorial Lecture:. Progress and prospects of reticular chemistry.Cutting the cost of carbon capture: a case for carbon capture and utilization.Simultaneously high gravimetric and volumetric methane uptake characteristics of the metal-organic framework NU-111.Comparing gas separation performance between all known zeolites and their zeolitic imidazolate framework counterparts.Simultaneous CO2 and SO2 capture by using ionic liquids: a theoretical approach.Highly Selective Zeolite Topologies for Flue Gas Separation.On the Structure-Property Relationships of Cation-Exchanged ZK-5 Zeolites for CO2 Adsorption.Computational high-throughput screening of fluid permeability in heterogeneous fiber materials.Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods.Calculated optical absorption of different perovskite phasesNew Light-Harvesting Materials Using Accurate and Efficient Bandgap CalculationsCarbon Dioxide Capture and Release by Anions with Solvent-Dependent Behaviour: A Theoretical StudyLarge scale computational screening and experimental discovery of novel materials for high temperature CO2 captureWhat can molecular simulation do for global warming?Water adsorption in metal-organic frameworks with open-metal sitesComputational screening of porous metal-organic frameworks and zeolites for the removal of SO2and NOxfrom flue gasesEvaluating different classes of porous materials for carbon captureEvaluating mixture adsorption models using molecular simulationSimilarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations
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description
im Mai 2012 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 27 May 2012
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в травні 2012
@uk
name
In silico screening of carbon-capture materials
@en
In silico screening of carbon-capture materials
@nl
type
label
In silico screening of carbon-capture materials
@en
In silico screening of carbon-capture materials
@nl
prefLabel
In silico screening of carbon-capture materials
@en
In silico screening of carbon-capture materials
@nl
P2093
P2860
P50
P356
P1433
P1476
In silico screening of carbon-capture materials
@en
P2093
Abhoyjit S Bhown
Adam H Berger
Joseph A Swisher
Kuldeep Jariwala
Richard L Martin
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P2888
P304
P356
10.1038/NMAT3336
P407
P577
2012-05-27T00:00:00Z