Qingyuan Yang

发表

Molecular simulation of separation of CO2 from flue gases in CU‐BTC metal‐organic framework

Chongli Zhong, Qingyuan Yang, Jianfeng Chen, 2007 .

Recovery of acetone from aqueous solution by ZIF-7/PDMS mixed matrix membranes

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2015 .

Probing the adsorption performance of the hybrid porous MIL-68(Al): a synergic combination of experimental and modelling tools

Guy De Weireld, Florence Ragon, Qingyuan Yang, 2012 .

Functionalizing porous zirconium terephthalate UiO-66(Zr) for natural gas upgrading: a computational exploration.

Vincent Guillerm, Qingyuan Yang, Christian Serre, 2011, Chemical communications.

An in situ self-assembly template strategy for the preparation of hierarchical-pore metal-organic frameworks

Chongli Zhong, Qingyuan Yang, Jian‐Rong Li, 2015, Nature Communications.

A robust amino-functionalized titanium(iv) based MOF for improved separation of acid gases.

C. Serre, P. Llewellyn, Qingyuan Yang, 2013, Chemical communications.

A force field for dynamic Cu-BTC metal-organic framework

Jianguo Mi, Chongli Zhong, Qingyuan Yang, 2011, Journal of molecular modeling.

Quantum sieving of H2/D2 in MOFs: a study on the correlation between the separation performance, pore size and temperature

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2020 .

Ultrahigh effective H2/D2 separation in an ultramicroporous metal–organic framework material through quantum sieving

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2018 .

Guest-modulation of the mechanical properties of flexible porous metal–organic frameworks

A. Ghoufi, G. Férey, Ke Yang, 2014 .

Enhancing CO2 adsorption and separation ability of Zr(IV)-based metal–organic frameworks through ligand functionalization under the guidance of the quantitative structure–property relationship model

Chongli Zhong, Qingyuan Yang, Jian‐Rong Li, 2016 .

A new type of halogen bond involving multivalent astatine: an ab initio study.

Zhaoxu Wang, B. Zheng, Qingyuan Yang, 2019, Physical chemistry chemical physics : PCCP.

Rational construction of defects in a metal–organic framework for highly efficient adsorption and separation of dyes

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2016 .

Preparation of thin film nanocomposite membranes with surface modified MOF for high flux organic solvent nanofiltration

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2017 .

Molecular simulation study of role of polymer-particle interactions in the strain-dependent viscoelasticity of elastomers (Payne effect).

S. Wen, Li Liu, Liqun Zhang, 2014, The Journal of chemical physics.

High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture

Chongli Zhong, Qingyuan Yang, Minman Tong, 2017 .

Understanding the Adsorption and Diffusion of Carbon Dioxide in Zeolitic Imidazolate Frameworks: A Molecular Simulation Study

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2009 .

In Silico Screening and Experimental Study of Anion-Pillared Metal-Organic Frameworks for Hydrogen Isotope Separation

Qingyuan Yang, Wenjiang Zeng, Jiahao Ren, 2022, Separation and Purification Technology.

Computational design of metal–organic frameworks for aniline recovery from aqueous solution

Chongli Zhong, Qingyuan Yang, Yuanlong Xiao, 2013 .

The stability and defluoridation performance of MOFs in fluoride solutions

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2014 .

A modified PSRK model for the prediction of the vapor–liquid equilibria of asymmetric systems

Chongli Zhong, Qingyuan Yang, 2001 .

Acid-functionalized UiO-66(Zr) MOFs and their evolution after intra-framework cross-linking: structural features and sorption properties

C. Serre, F. Taulelle, P. Llewellyn, 2015 .

A high surface area Zr(IV)-based metal–organic framework showing stepwise gas adsorption and selective dye uptake

Chongli Zhong, L. Gan, Qingyuan Yang, 2015 .

An evaluation of UiO-66 for gas-based applications.

C. Serre, P. Llewellyn, Qingyuan Yang, 2011, Chemistry, an Asian journal.

Molecular simulation of hydrogen diffusion in interpenetrated metal-organic frameworks.

Berend Smit, Bei Liu, Chongli Zhong, 2008, Physical chemistry chemical physics : PCCP.

Graphene-like Poly(triazine imide) as N2-Selective Ultrathin Membrane for Postcombustion CO2 Capture

Chongli Zhong, Jinping Li, Qingyuan Yang, 2016 .

Enhancement of CO2/N2 Mixture Separation Using the Thermodynamic Stepped Behavior of Adsorption in Metal−Organic Frameworks

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2011 .

Theoretical investigation of gas separation in functionalized nanoporous graphene membranes

Chongli Zhong, Jinping Li, Qingyuan Yang, 2017 .

Protic ionic liquid [Bim][NTf2] with strong hydrogen bond donating ability for highly efficient ammonia absorption

Xiangping Zhang, Haifeng Dong, Suojiang Zhang, 2017 .

Synthesis of MIL-88B(Fe)/Matrimid mixed-matrix membranes with high hydrogen permselectivity

Chongli Zhong, Qingyuan Yang, A. Huang, 2015 .

Influence of framework metal ions on the dye capture behavior of MIL-100 (Fe, Cr) MOF type solids

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2013 .

A hybrid zeolitic imidazolate framework membrane by mixed-linker synthesis for efficient CO2 capture.

Chunjuan Zhang, Chongli Zhong, Qingyuan Yang, 2013, Chemical communications.

Helium Recovery by a Cu-BTC Metal–Organic-Framework Membrane

Fahai Cao, Chunjuan Zhang, Chongli Zhong, 2012 .

Microporous Metal–Organic Frameworks with Hydrophilic and Hydrophobic Pores for Efficient Separation of CH4/N2 Mixture

Qingyuan Yang, Dahuan Liu, Miao Chang, 2019, ACS omega.

Two-Dimensional Covalent Triazine Framework Membrane for Helium Separation and Hydrogen Purification.

Chongli Zhong, Jinping Li, Qingyuan Yang, 2016, ACS applied materials & interfaces.

Efficient capture of nitrobenzene from waste water using metal–organic frameworks

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2014 .

Dual-metallic single Ru and Ni atoms decoration of MoS2 for high-efficiency hydrogen production

Xiaodong Lei, Meihong Jiang, Qingyuan Yang, 2021 .

High-Throughput Computational Exploration of MOFs with Open Cu Sites for Adsorptive Separation of Hydrogen Isotopes.

Qingyuan Yang, Dahuan Liu, Xiaolong Fu, 2022, ACS applied materials & interfaces.

Computational Study on the Influences of Framework Charges on CO2 Uptake in Metal−Organic Frameworks

Jianguo Mi, Chongli Zhong, Qingyuan Yang, 2009 .

Adsorption Behavior of Metal–Organic Frameworks for Thiophenic Sulfur from Diesel Oil

Chongli Zhong, Ying-zhou Lu, Qingyuan Yang, 2012 .

Highly selective adsorption and separation of aniline/phenol from aqueous solutions by microporous MIL-53(Al): a combined experimental and computational study.

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2014, Langmuir : the ACS journal of surfaces and colloids.

Exploration of nanoporous graphene membranes for the separation of N2 from CO2: a multi-scale computational study.

Chongli Zhong, Jinping Li, Jiangfeng Yang, 2016, Physical chemistry chemical physics : PCCP.

Guest dependent pressure behavior of the flexible MIL-53(Cr): a computational exploration.

A. Ghoufi, Chongli Zhong, Qingyuan Yang, 2012, Dalton transactions.

Construction of stable IL@MOF composite with multiple adsorption sites for efficient ammonia capture from dry and humid conditions

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2020 .

Atomistic molecular dynamics simulation of liquid carbon tetrachloride confined in pillared pore materials

Chongli Zhong, Qingyuan Yang, 2005 .

Polarization induced covalent bonding: A new force of heavy metal adsorption on charged particle surface.

W. Shi, Qingyuan Yang, Qinyi Li, 2021, Journal of hazardous materials.

Silver Nanoparticles Prepared by One-Step Reaction via Reducibility of a Metal–Organic Framework to Remove the Toxic Bromine Ions

Qingyuan Yang, Dahuan Liu, Huifang Zhao, 2020 .

Computer Simulations of Adsorption Characteristics of Carbon Dioxide in Slit Graphite Pores

Chongli Zhong, Qingyuan Yang, 2008 .

Molecular Simulation of Adsorption of HCFC-22 in Pillared Clays

Chongli Zhong, Qingyuan Yang, Yi-Gui Li, 2005 .

A Self-Evolutionary Methodology for Reverse Design of Novel MOFs.

Qingyuan Yang, Dahuan Liu, Tongan Yan, 2022, The journal of physical chemistry. A.

Hydrocarbon adsorption in the isostructural metal organic frameworks MIL-53(Cr) and MIL-47(V)

C. Serre, Qingyuan Yang, G. Maurin, 2011 .

Synthesis and characterization of PCN-222 metal organic framework and its application for removing perfluorooctane sulfonate from water.

Qingyuan Yang, B. Sarkar, Y. Tzou, 2023, Journal of colloid and interface science.

Ionic liquid functionalized multi-walled carbon nanotubes/zeolitic imidazolate framework hybrid membranes for efficient H2/CO2 separation.

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2015, Chemical communications.

Computational exploration of H2S/CH4 mixture separation using acid-functionalized UiO-66(Zr) membrane and composites

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2015 .

An ultrastable Zr metal–organic framework with a thiophene-type ligand containing methyl groups

Zhengjie Li, Chongli Zhong, Qingyuan Yang, 2015 .

Crystal-state Photochromism and Dual-mode Mechanochromism of an Organic Molecule with Fluorescence, RT Phosphorescence and DF.

Qingyuan Yang, Lili Huang, Zhiyong Ma, 2019, Angewandte Chemie.

High-throughput computational screening of Cu-MOFs with open metal sites for efficient C2H2/C2H4 separation

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2020, Green Energy & Environment.

A D-A-D’ type organic molecule with persistent phosphorescence exhibiting dual-mode mechanochromism

Qingyuan Yang, Lili Huang, Zhiyong Ma, 2020 .

Crystal‐State Photochromism and Dual‐Mode Mechanochromism of an Organic Molecule with Fluorescence, Room‐Temperature Phosphorescence, and Delayed Fluorescence

Qingyuan Yang, Lili Huang, Zhiyong Ma, 2019, Angewandte Chemie.

Computational exploration of metal–organic frameworks for CO2/CH4 separation via temperature swing adsorption

Zhengjie Li, Chongli Zhong, Qingyuan Yang, 2014 .

Pebax-based composite membranes with high gas transport properties enhanced by ionic liquids for CO2 separation

Xiangping Zhang, Suojiang Zhang, Qingyuan Yang, 2017 .

High-Flux Graphene Oxide Membranes Intercalated by Metal-Organic Framework with Highly Selective Separation of Aqueous Organic Solution.

Weixin Zhang, Chongli Zhong, Qingyuan Yang, 2017, ACS applied materials & interfaces.

Confinement of Ionic Liquids in Nanocages: Tailoring the Molecular Sieving Properties of ZIF-8 for Membrane-Based CO2 Capture.

Zhengjie Li, Chongli Zhong, Qingyuan Yang, 2015, Angewandte Chemie.

Molecular mechanisms for surfactant-aided oil removal from a solid surface

Qingyuan Yang, Bei Liu, Xianren Zhang, 2015 .

Molecular Modeling of Gas Separation in Metal–Organic Frameworks

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2015 .

Development of computational methodologies for metal-organic frameworks and their application in gas separations.

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2013, Chemical reviews.

Adsorption and separation of binary mixtures in a metal-organic framework Cu-BTC: A computational study

Chongli Zhong, Qingyuan Yang, Sanyue Wang, 2008 .

Molecular simulation of carbon dioxide/methane/hydrogen mixture adsorption in metal-organic frameworks.

Chongli Zhong, Qingyuan Yang, Chongli Zhong, 2006, The journal of physical chemistry. B.

Comparative Study of Separation Performance of COFs and MOFs for CH4/CO2/H2 Mixtures

Chongli Zhong, Dahuan Liu, Qingyuan Yang, 2010 .

Probing the halogen bond donation ability of multivalent At-center in AtXn (X = Cl, Br, I; n = 1, 3, 5)⋯H2O/H2S complexes

Zhaoxu Wang, B. Zheng, Qingyuan Yang, 2021 .

Probing Au⋯O and Au⋯P regium bonding interaction in AuX (X = F, Cl, Br)⋯RPHOH (R = CH3, F, CF3, NH2, CN) complexes

Zhaoxu Wang, B. Zheng, Qingyuan Yang, 2020, Computational and Theoretical Chemistry.

Adsorption and Diffusion of Light Hydrocarbons in UiO-66(Zr): A Combination of Experimental and Modeling Tools

C. Serre, Chongli Zhong, P. Llewellyn, 2014 .

Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2015 .

Materials genomics methods for high-throughput construction of COFs and targeted synthesis

Xin Zhao, Minman Tong, Chongli Zhong, 2018, Nature Communications.

Materials genomics methods for high-throughput construction of COFs and targeted synthesis

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2018, Nature Communications.

Computational study of nanoparticle dispersion and spatial distribution in polymer matrix under oscillatory shear flow.

Yulong Chen, S. Wen, Li Liu, 2013, Langmuir : the ACS journal of surfaces and colloids.

Mixed-matrix membranes containing functionalized porous metal-organic polyhedrons for the effective separation of CO2-CH4 mixture.

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2015, Chemical communications.

Ionic Liquid/Metal–Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration

Zhengjie Li, Chongli Zhong, Qingyuan Yang, 2015 .

Analyzing acetylene adsorption of metal–organic frameworks based on machine learning

X. Lai, Qingyuan Yang, Duli Yu, 2021 .

Large-Scale Computational Screening of Metal–Organic Frameworks for D2/H2 Separation

Qingyuan Yang, L. Ding, Zhiyuan Bi, 2022, Chinese Journal of Chemical Engineering.

Computational exploration of a Zr-carboxylate based metal–organic framework as a membrane material for CO2 capture

C. Serre, Chongli Zhong, Qingyuan Yang, 2014 .

A water stable metal-organic framework with optimal features for CO2 capture.

Chongli Zhong, Florence Ragon, Hervé Jobic, 2013, Angewandte Chemie.

PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution

Weihua Li, Qingyuan Yang, Jia Guo, 2021, Nature Communications.

A new metal-organic framework with high stability based on zirconium for sensing small molecules

Chongli Zhong, Qingyuan Yang, Hongliang Huang, 2013 .

Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening

Zhaoxu Wang, B. Zheng, Qingyuan Yang, 2021, ACS Sustainable Chemistry & Engineering.

Li-modified metal–organic frameworks for CO2/CH4 separation: a route to achieving high adsorption selectivity

Jianguo Mi, Chongli Zhong, Qingyuan Yang, 2010 .

Understanding hydrogen adsorption in metal-organic frameworks with open metal sites: a computational study.

Chongli Zhong, Qingyuan Yang, Chongli Zhong, 2006, The journal of physical chemistry. B.

Bimetallic MOF-Derived Sulfides with Heterojunction Interfaces Synthesized for Photocatalytic Hydrogen Evolution

Qingyuan Yang, Zhonghua Xiang, Dahuan Liu, 2021, Industrial & Engineering Chemistry Research.

Understanding the Thermodynamic and Kinetic Behavior of the CO2/CH4 Gas Mixture within the Porous Zirconium Terephthalate UiO-66(Zr): A Joint Experimental and Modeling Approach

C. Serre, P. Llewellyn, Qingyuan Yang, 2011 .

A Computational Exploration of the CO Adsorption in Cation-Exchanged Faujasites

Qingyuan Yang, G. Maurin, D. Berthomieu, 2012 .

A robust metal-organic framework with guest molecules induced splint-like pore confinement to construct propane-trap for propylene purification

Jianfeng Chen, Qingyuan Yang, Dahuan Liu, 2021, Separation and Purification Technology.

CH4 storage and CO2 capture in highly porous zirconium oxide based metal-organic frameworks.

C. Serre, Chongli Zhong, P. Llewellyn, 2012, Chemical communications.

PtCu@Ir-PCN-222: Synergistic Catalysis of Bimetallic PtCu Nanowires in Hydrosilane-Concentrated Interspaces of an Iridium(III)–Porphyrin-Based Metal–Organic Framework

C. Su, Qingyuan Yang, Chunying Chen, 2022, ACS Catalysis.

Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide

Chongli Zhong, Qingyuan Yang, Minman Tong, 2017 .

Large-Scale Screening and Design of Metal-Organic Frameworks for CH4 /N2 Separation.

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2019, Chemistry, an Asian journal.

Large-Scale Structural Refinement and Screening of Zirconium Metal-Organic Frameworks for H2S/CH4 Separation.

Zhaoxu Wang, B. Zheng, Qingyuan Yang, 2019, ACS applied materials & interfaces.

A GO-assisted method for the preparation of ultrathin covalent organic framework membranes for gas separation

Weixin Zhang, Chongli Zhong, Qingyuan Yang, 2016 .

Few-layered ultrathin covalent organic framework membranes for gas separation: a computational study

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2016 .

High-efficiency Separation of Aromatic Sulfide from Liquid Hydrocarbon Fuel in Conjugated Porous Organic Framework with Polycarbazole Unit.

Wenxiang Zhang, Shuhui Chen, Heping Ma, 2019, ACS applied materials & interfaces.

Computational study of the effect of organic linkers on natural gas upgrading in metal–organic frameworks

Wei Mu, Chongli Zhong, Dahuan Liu, 2010 .

Computational Study of CO2 Storage in Metal-Organic Frameworks

Qingyuan Yang, Jianfeng Chen, Qingyuan Yang, 2008 .

A Stable Cu(I)-Based Ultramicroporous NKMOF-8-Br with High CH4 Uptake for Efficient Separation of CH4/N2 Mixtures

Qingyuan Yang, Dahuan Liu, Miao Chang, 2022, Journal of Chemical & Engineering Data.

Separation of CH ₄ / N ₂ by an Ultra‐Stable Metal‐Organic Framework with the Highest Brea

Qingyuan Yang, Dahuan Liu, Miao Chang, 2022, AIChE Journal.

A robust calcium-based microporous metal-organic framework for efficient CH4/N2 separation

Qingyuan Yang, Dahuan Liu, Jiahao Ren, 2020 .

Materials genomics‐guided ab initio screening of MOFs with open copper sites for acetylene storage

Ce Zhang, Chongli Zhong, Qingyuan Yang, 2018 .

Computer-Aided Discovery of MOFs with Calixarene-Analogous Microenvironment for Exceptional SF6 Capture

Qingyuan Yang, Dahuan Liu, G. Maurin, 2021, Chemistry of Materials.

Large breathing of the MOF MIL-47(VIV) under mechanical pressure: a joint experimental–modelling exploration

A. Ghoufi, C. Serre, J. Haines, 2012 .

Molecular simulation study of the stepped behaviors of gas adsorption in two-dimensional covalent organic frameworks.

Chongli Zhong, Qingyuan Yang, 2009, Langmuir : the ACS journal of surfaces and colloids.

Probing the dynamics of CO2 and CH4 within the porous zirconium terephthalate UiO-66(Zr): a synergic combination of neutron scattering measurements and molecular simulations.

C. Serre, Qingyuan Yang, Vincent Guillerm, 2011, Chemistry.

Effects of ionic liquid dispersion in metal-organic frameworks and covalent organic frameworks on CO2 capture: A computational study

Zhengjie Li, Chongli Zhong, Qingyuan Yang, 2016 .

Exploring the structure-property relationships of covalent organic frameworks for noble gas separations

Chongli Zhong, Qingyuan Yang, Chongli Zhong, 2017 .

Enhanced adsorption selectivity of hydrogen/methane mixtures in metal-organic frameworks with interpenetration: A molecular simulation study

B. Smit, Biaohua Chen, Chongli Zhong, 2008 .

Computational study of oxygen adsorption in metal–organic frameworks with exposed cation sites: effect of framework metal ions

Zhengjie Li, Chongli Zhong, Jinping Li, 2015 .

Influence of the Organic Ligand Functionalization on the Breathing of the Porous Iron Terephthalate Metal Organic Framework Type Material upon Hydrocarbon Adsorption

C. Serre, Y. Filinchuk, P. Llewellyn, 2011 .

Effects of the side pockets on gas separation in metal-organic framework Cu-BTC: a molecular simulation study

Chongli Zhong, Qingyuan Yang, Chunyu Xue, 2009 .

Reversed C2H6/C2H4 separation in interpenetrated diamondoid coordination networks with enhanced host–guest interaction

X. Mu, Jingui Duan, M. Zaworotko, 2021 .

Highly efficient CO2 capture and conversion of a microporous acylamide functionalized rht-type metal–organic framework

Zhaoxu Wang, B. Zheng, Qingyuan Yang, 2020 .

Electrostatic-field-induced enhancement of gas mixture separation in metal-organic frameworks: a computational study.

Chongli Zhong, Qingyuan Yang, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Solubility‐Boosted Molecular Sieving‐Based Separation for Purification of Acetylene in Core–Shell IL@MOF Composites

Qingyuan Yang, Yunpan Ying, Dahuan Liu, 2023, Advanced Functional Materials.

Methane diffusion mechanism in catenated metal–organic frameworks

Chongli Zhong, Qingyuan Yang, Chunyu Xue, 2009 .

Calcium-Based Metal–Organic Framework for Efficient Capture of Sulfur Hexafluoride at Low Concentrations

Qingyuan Yang, Yunpan Ying, Dahuan Liu, 2021 .

Exploration of the Long-Chain N-Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools

A. Ghoufi, C. Serre, Qingyuan Yang, 2011 .

Confinement–Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release

Qingyuan Yang, Dahuan Liu, Guopeng Han, 2022, Advanced Materials Interfaces.

Molecular simulation of adsorption and diffusion of hydrogen in metal-organic frameworks.

Chongli Zhong, Qingyuan Yang, Chongli Zhong, 2005, The journal of physical chemistry. B.

Methane adsorption in several series of newly synthesised metal-organic frameworks: a molecular simulation study

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2010 .

Molecular Simulation of CO2/H2 Mixture Separation in Metal-organic Frameworks: Effect of Catenation and Electrostatic Interactions

Chongli Zhong, Qingyuan Yang, Bei Liu, 2009 .

Computational screening of covalent organic frameworks for CH4/H2, CO2/H2 and CO2/CH4 separations

Chongli Zhong, Qingyuan Yang, Minman Tong, 2015 .

Accelerating the Selection of Covalent Organic Frameworks with Automated Machine Learning

X. Lai, Qingyuan Yang, Duli Yu, 2021, ACS omega.

Molecular simulation study of the quantum effects of hydrogen adsorption in metal-organic frameworks: influences of pore size and temperature

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2009 .

Enhanced Methane Adsorption in Catenated Metal-organic Frameworks: A Molecular Simulation Study

Chongli Zhong, Qingyuan Yang, Chunyu Xue, 2009 .

Quantum Sieving in Metal–Organic Frameworks: A Computational Study

Jianguo Mi, Chongli Zhong, Qingyuan Yang, 2012 .

Adsorption of methane in heterometallic metal-organic frameworks with anions: a molecular simulation study

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2009 .

Machine learning-assisted computational exploration of the optimal loading of IL in IL/COF composites for carbon dioxide capture

Chongli Zhong, Qingyuan Yang, Dahuan Liu, 2023, Journal of Materials Chemistry A.

Recovery of syringic acid from aqueous solution by magnetic Fe–Zn/ZIF and its slow release from the CA-coated carrier based on the 3Rs concept

Qingyuan Yang, Dahuan Liu, Huifang Zhao, 2022, CrystEngComm.

In Silico Screening of MOFs with open copper sites for C2 H2 /CO2 separation

Qingyuan Yang, G. Maurin, Lei Wang, 2018, AIChE Journal.

Ionic liquid functionalized multi-walled carbon nanotubes/zeolitic imidazolate framework hybrid membranes for efficient H2/CO2 separation.

Qingyuan Yang, Hongliang Huang, Yuanlong Xiao, 2015, Chemical communications.

Large‐scale computational screening of metal‐organic frameworks for CH4/H2 separation

Chongli Zhong, Qingyuan Yang, Bei Liu, 2012 .

Revealing the structure-property relationship of covalent organic frameworks for CO₂ capture from postcombustion gas: a multi-scale computational study.

Chongli Zhong, Qingyuan Yang, Yuanlong Xiao, 2014, Physical chemistry chemical physics : PCCP.

A hybrid zeolitic imidazolate framework membrane by mixed-linker synthesis for efficient CO2 capture.

Chunjuan Zhang, Chongli Zhong, Qingyuan Yang, 2013, Chemical communications.

Computational Insights on the Role of Nanochannel Environment in the CO2/CH4 and H2/CH4 Separation Using Restacked Covalent Organic Framework Membranes

Chongli Zhong, Qingyuan Yang, Minman Tong, 2019, The Journal of Physical Chemistry C.

A force field for dynamic Cu-BTC metal-organic framework

Jianguo Mi, Chongli Zhong, Qingyuan Yang, 2011, Journal of molecular modeling.

Revealing the structure-property relationships of metal-organic frameworks for CO2 capture from flue gas.

Chongli Zhong, Hongliang Huang, Dahuan Liu, 2012, Langmuir : the ACS journal of surfaces and colloids.

Molecular simulation of vapor–liquid equilibria of toxic gases

Chongli Zhong, Qingyuan Yang, Wu Lin, 2004 .

Prediction of Methane Storage in Covalent Organic Frameworks Using Big-Data-Mining Approach

Duli Yu, Kunfeng Wang, Huan Zhang, 2021 .

Insight into mechanisms of heavy metal-induced natural clay aggregation

Qingyuan Yang, Qinyi Li, Rui Tian, 2023, Applied Clay Science.

Exploration of the Influences of the PODE3 Additive on the Initial Pyrolysis of Diesel by ReaxFF Molecular Dynamics Simulations

Qingyuan Yang, Weizhen Sun, Liangliang Wang, 2021 .