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List of works by Li-Chiang Lin

A hybrid absorption-adsorption method to efficiently capture carbon

scientific article

Ab initio carbon capture in open-site metal-organic frameworks

scientific article published on 19 August 2012

Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of n-Alkanes on Brønsted Acid Sites in Zeolites

Aggregation Behavior of Inorganic 2D Nanomaterials Beyond Graphene: Insights from Molecular Modeling and Modified DLVO Theory

scientific article published on 28 March 2019

Atomistic Investigations of the Effects of Si/Al Ratio and Al Distribution on the Adsorption Selectivity of n-Alkanes in Brønsted-Acid Zeolites

Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands

scientific article

Atomistic understandings of reduced graphene oxide as an ultrathin-film nanoporous membrane for separations

scientific article

Bioinspired Metal–Organic Framework for Trace CO2 Capture

scientific article published in 2018

CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations

Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2and NOxfrom flue gases

article

Design of a metal-organic framework with enhanced back bonding for separation of N₂ and CH₄.

scientific article published on 30 December 2013

Effects of Pore and Cage Topology on the Thermodynamics of n-Alkane Adsorption at Brønsted Protons in Zeolites at High Temperature

Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations

Electrostatic Potential Optimized Molecular Models for Molecular Simulations: CO, CO2, COS, H2S, N2, N2O, and SO2

scientific article published on 30 October 2019

Evaluating different classes of porous materials for carbon capture

scholarly article by Johanna M. Huck et al published 2014 in Energy and Environmental Science

Evaluating mixture adsorption models using molecular simulation

article published in 2013

Excimer-Mediated Intermolecular Charge Transfer in Self-Assembled Donor-Acceptor Dyes on Metal Oxides

scientific article published on 22 May 2019

Exploring the potential and design of zeolite nanosheets as pervaporation membranes for ethanol extraction

scientific article published on 01 November 2018

Force-Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal-Organic Frameworks

scientific article

Front Cover: Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory (ChemPhysChem 4/2018)

Frontispiece: Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks

In silico screening of carbon-capture materials

scientific article published on 27 May 2012

Investigating polarization effects of CO2 adsorption in MgMOF-74

Investigating the Potential of Single-Walled Aluminosilicate Nanotubes in Water Desalination

scientific article published on 4 November 2016

Investigation of the Water Adsorption Properties and Structural Stability of MIL-100(Fe) with Different Anions

scientific article published on 29 March 2018

Large-scale computational screening of zeolites for ethane/ethene separation

scientific article

Large-scale screening of zeolite structures for CO2 membrane separations

scientific article

Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules

article

Metal-Organic Frameworks in Adsorption-Driven Heat Pumps: The Potential of Alcohols as Working Fluids.

scientific article published on 2 November 2015

Methane storage capabilities of diamond analogues.

scientific article

Multilayer Nanoporous Graphene Membranes for Water Desalination.

scientific article published on 25 January 2016

Nanoporous Materials Can Tune the Critical Point of a Pure Substance.

scientific article

New materials for methane capture from dilute and medium-concentration sources

scientific article published in January 2013

Optimizing nanoporous materials for gas storage

scientific article published on 7 January 2014

Polarizable Force Field for CO in M-MOF-74 Derived from Quantum Mechanics

scholarly article by Tim M Becker et al published 25 October 2018 in Journal of Physical Chemistry C

Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74.

scientific article

Potential of polarizable force fields for predicting the separation performance of small hydrocarbons in M-MOF-74

scientific article published on 01 November 2018

Predicting large CO2 adsorption in aluminosilicate zeolites for postcombustion carbon dioxide capture

scientific article

Rational Design of Two-Dimensional Hydrocarbon Polymer as Ultrathin-Film Nanoporous Membranes for Water Desalination

scientific article published on 24 May 2018

Response to "Impact of Zeolite Structure on Entropic-Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study"

scientific article published on 02 May 2019

Reversible CO binding enables tunable CO/H₂ and CO/N₂ separations in metal-organic frameworks with exposed divalent metal cations

scientific article published on 18 July 2014

Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations

scientific article published on 22 August 2012

Systematic molecular model development with reliable charge distributions for gaseous adsorption in nanoporous materials

article

The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal–Organic Framework

article

Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation of n-Butane in Brønsted Acidic Zeolites

Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks

Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalination

scientific article published on 01 October 2015

Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory

Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory.

scientific article

Understanding CO2 dynamics in metal-organic frameworks with open metal sites

scientific article published on 28 March 2013

Understanding gas adsorption in MOF-5/graphene oxide composite materials

scientific article published on 21 April 2017

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