Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions.
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Exploiting Large-Pore Metal-Organic Frameworks for Separations through Entropic Molecular Mechanisms.Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74.Revealing the structure-property relationship of covalent organic frameworks for CO₂ capture from postcombustion gas: a multi-scale computational study.Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions.A procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbon.Predicting Product Distribution of Propene Dimerization in Nanoporous Materials.Screening metal-organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology.The effect of SO2 on CO2 capture in zeolitic imidazolate frameworks.Ligand and Metal Effects on the Stability and Adsorption Properties of an Isoreticular Series of MOFs Based on T-Shaped Ligands and Paddle-Wheel Secondary Building Units.Hydride Transfer versus Deprotonation Kinetics in the Isobutane-Propene Alkylation Reaction: A Computational Study.Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.The effect of crystallite size on pressure amplification in switchable porous solids.
P2860
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P2860
Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
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2008年学术文章
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2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
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2008年學術文章
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2008年學術文章
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name
Computing the Heat of Adsorpti ...... Strong Coulombic Interactions.
@en
type
label
Computing the Heat of Adsorpti ...... Strong Coulombic Interactions.
@en
prefLabel
Computing the Heat of Adsorpti ...... Strong Coulombic Interactions.
@en
P2093
P356
P1476
Computing the Heat of Adsorpti ...... Strong Coulombic Interactions.
@en
P2093
E García-Pérez
T J H Vlugt
P304
P356
10.1021/CT700342K
P577
2008-07-01T00:00:00Z