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Title: What can molecular simulation do for global warming?: Molecular simulation for carbon capture

 [1];  [2];  [1]
  1. Department of Chemistry, University of California, Riverside CA USA
  2. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge TN USA, Department of Chemistry, The University of Tennessee, Knoxville, TN USA
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Journal Name:
Wiley Interdisciplinary Reviews: Computational Molecular Science
Additional Journal Information:
Journal Name: Wiley Interdisciplinary Reviews: Computational Molecular Science Journal Volume: 6 Journal Issue: 2; Journal ID: ISSN 1759-0876
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States

Citation Formats

Tian, Ziqi, Dai, Sheng, and Jiang, De-en. What can molecular simulation do for global warming?: Molecular simulation for carbon capture. United States: N. p., 2016. Web. doi:10.1002/wcms.1241.
Tian, Ziqi, Dai, Sheng, & Jiang, De-en. What can molecular simulation do for global warming?: Molecular simulation for carbon capture. United States. doi:10.1002/wcms.1241.
Tian, Ziqi, Dai, Sheng, and Jiang, De-en. Thu . "What can molecular simulation do for global warming?: Molecular simulation for carbon capture". United States. doi:10.1002/wcms.1241.
title = {What can molecular simulation do for global warming?: Molecular simulation for carbon capture},
author = {Tian, Ziqi and Dai, Sheng and Jiang, De-en},
abstractNote = {},
doi = {10.1002/wcms.1241},
journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
number = 2,
volume = 6,
place = {United States},
year = {2016},
month = {1}

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Free Publicly Available Full Text
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DOI: 10.1002/wcms.1241

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Polymer nanosieve membranes for CO2-capture applications
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Cation-assisted interactions between N-heterocycles and CO 2
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An ab Initio CFF93 All-Atom Force Field for Polycarbonates
journal, April 1994

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A DFT study on the carbamates formation through the absorption of CO2 by AMP
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Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
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Ab Initio Screening of CO2-philic Groups
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Exceptionally high CO2 storage in covalent-organic frameworks: Atomistic simulation study
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Quantum chemical studies on adsorption of CO2 on nitrogen-containing molecular segment models of coal
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Graphene-based materials: Synthesis and gas sorption, storage and separation
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Covalent organic frameworks for extremely high reversible CO 2 uptake capacity: a theoretical approach
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Unprecedented high-temperature CO2 selectivity in N2-phobic nanoporous covalent organic polymers
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Nucleophilicity and Accessibility Calculations of Alkanolamines: Applications to Carbon Dioxide Absorption Reactions
journal, December 2010

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Ab Initio Study of the Reaction of Carbamate Formation from CO 2 and Alkanolamines
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Theoretical Investigation on the Different Reaction Mechanisms of Aqueous 2-Amino-2-methyl-1-propanol and Monoethanolamine with CO 2
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Conductive Graphitic Carbon Nitride as an Ideal Material for Electrocatalytically Switchable CO2 Capture
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An accurate benchmark description of the interactions between carbon dioxide and polyheterocyclic aromatic compounds containing nitrogen
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Mechanisms of Molecular Permeation through Nanoporous Graphene Membranes
journal, January 2014

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Designing the Next Generation of Chemical Separation Membranes
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First-principles-guided design of ionic liquids for CO2 capture
journal, January 2012

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Charge-Controlled Switchable CO 2 Capture on Boron Nitride Nanomaterials
journal, May 2013

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Ultra-Microporous Triptycene-based Polyimide Membranes for High-Performance Gas Separation
journal, March 2014

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