Search filters

List of works by Jianwen Jiang

"Click"-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture

scientific article published in May 2014

1D-2D-3D Transformation Synthesis of Hierarchical Metal-Organic Framework Adsorbent for Multicomponent Alkane Separation

scientific article published on 15 December 2016

A bio-metal-organic framework for highly selective CO(2) capture: A molecular simulation study.

scientific article published on August 2010

A combinatorial approach towards water-stable metal-organic frameworks for highly efficient carbon dioxide separation.

scientific article

A highly permeable and selective zeolitic imidazolate framework ZIF-95 membrane for H2/CO2 separation

scientific article published on 01 November 2012

A homochiral metal-organic framework membrane for enantioselective separation

scientific article published on 10 May 2012

A new lattice density functional theory for polymer adsorption at solid-liquid interface

scientific article published on 01 July 2009

A new molecular thermodynamic model for multicomponent Ising lattice

scientific article published in October 2006

A rationally designed nitrogen-rich metal-organic framework and its exceptionally high CO(2) and H(2) uptake capability.

scientific article published on 28 January 2013

Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation

article

Adsorption of copolymers in a selective nanoslit: a hybrid density functional theory

scientific article

Ag nanoprisms with Ag₂S attachment.

scientific article

Amino functionalized zeolitic tetrazolate framework (ZTF) with high capacity for storage of carbon dioxide

scientific article published on 21 December 2010

Analogy in the adsorption of random copolymers and homopolymers at solid-liquid interface: a Monte Carlo simulation study

scientific article published in March 2007

Assembly of copolymer blend on nanopatterned surfaces: a molecular simulation study

scientific article published on 29 September 2007

Assessment of biomolecular force fields for molecular dynamics simulations in a protein crystal

scientific article published in January 2010

Atomistic insight into adsorption, mobility, and vibration of water in ion-exchanged zeolite-like metal-organic frameworks

scientific article published in September 2009

Biofuel purification in zeolitic imidazolate frameworks: the significant role of functional groups

scientific article published on 01 May 2014

Boosting Enantioselectivity of Chiral Organocatalysts with Ultrathin Two-Dimensional Metal-Organic Framework Nanosheets

scientific article published on 24 October 2019

CH4 Hydrate Formation between Silica and Graphite Surfaces: Insights from Microsecond Molecular Dynamics Simulations

scientific article published on 9 October 2017

CO2 adsorption in mono-, di- and trivalent cation-exchanged metal-organic frameworks: a molecular simulation study

scientific article published on 14 February 2012

CO2 capture in poly(ionic liquid) membranes: atomistic insight into the role of anions

scientific article published on 27 November 2012

CO2-induced microstructure transition of surfactant in aqueous solution: insight from molecular dynamics simulation

scientific article published on 01 May 2010

Capillary Phase Transitions ofn-Alkanes in a Carbon Nanotube

Capillary phase transitions of linear and branched alkanes in carbon nanotubes from molecular simulation

scientific article published in August 2006

Characterization of hexavalent chromium interaction with Sargassum by X-ray absorption fine structure spectroscopy, X-ray photoelectron spectroscopy, and quantum chemistry calculation

scientific article published on 25 December 2010

Chiral BINOL-Based Covalent Organic Frameworks for Enantioselective Sensing

scientific article published on 19 April 2019

Chiral NH-Controlled Supramolecular Metallacycles.

scientific article published on 6 January 2017

Chiral separation of racemic phenylglycines in thermolysin crystal: a molecular simulation study

scientific article published in December 2009

Comment on 'Diffusion of water and sodium counter-ions in nanopores of a β-lactoglobulin crystal: a molecular dynamics study'.

scientific article published on 22 September 2008

Confinement of Aggregation-Induced Emission Molecular Rotors in Ultrathin Two-Dimensional Porous Organic Nanosheets for Enhanced Molecular Recognition.

scientific article published on 9 March 2018

Covalent-organic framework as a template to assemble carbon nanotubes into a high-density membrane: computational demonstration.

scientific article published in January 2014

Crowding effect on DNA melting: a molecular thermodynamic model with explicit solvent

scientific article published on 12 October 2012

Crystalline C-C and C═C Bond-Linked Chiral Covalent Organic Frameworks

scientific article published on 24 December 2020

DNA melting in slit pores: a reaction density functional theory

scientific article published on 07 February 2011

Density functional theory for adsorption of gas mixtures in metal-organic frameworks.

scientific article published in March 2010

Density functional theory for copolymers confined in a nanoslit.

scientific article published in April 2007

Development of a density functional theory in three-dimensional nanoconfined space: H2 storage in metal-organic frameworks.

scientific article published in September 2009

Development of a force field for zeolitic imidazolate framework-8 with structural flexibility

scientific article published in June 2012

Diffusion and separation of CO2 and CH4 in silicalite, C168 schwarzite, and IRMOF-1: a comparative study from molecular dynamics simulation

scientific article

Dipeptides Embedded in a Lipid Bilayer Membrane as Synthetic Water Channels

scientific article published on 21 July 2017

Effects of macromolecular crowding on biochemical reaction equilibria: a molecular thermodynamic perspective.

scientific article

Effects of polydisperse crowders on aggregation reactions: a molecular thermodynamic analysis

scientific article published on 01 February 2011

Engineering chiral porous metal-organic frameworks for enantioselective adsorption and separation.

scientific article published on 17 July 2014

Enhancing water permeation through alumina membranes by changing from cylindrical to conical nanopores

scientific article published on 01 May 2019

Fluorinated metal-organic frameworks: advantageous for higher H2 and CO2 adsorption or not?

scientific article published on 09 December 2011

Force field for molecular dynamics studies of glycine/water mixtures in crystal/solution environments

scientific article published in January 2009

Formation of CH4 Hydrate in a Mesoporous Metal-Organic Framework MIL-101: Mechanistic Insights from Microsecond Molecular Dynamics Simulations

scientific article published on 01 November 2019

Hierarchical modeling N2 adsorption on the surface of and within a C60 crystal: from quantum mechanics to molecular simulation

scientific article published in March 2005

Highly Stable Zr(IV)-Based Metal-Organic Frameworks for Chiral Separation in Reversed-Phase Liquid Chromatography

scientific article published on 24 December 2020

Highly porous ionic rht metal-organic framework for H2 and CO2 storage and separation: a molecular simulation study.

scientific article published on July 2010

Hybrid density functional theory for homopolymer mixtures confined in a selective nanoslit.

scientific article published on 8 May 2007

Interactions between bovine serum albumin and gemini surfactant alkanediyl-alpha, omega-bis(dimethyldodecyl-ammonium bromide)

scientific article published on 01 October 2006

Interactions between gemini surfactant alkanediyl-alpha,omega-bis(dodecyldimethylammonium bromide) and polyelectrolyte NaPAA

scientific article published on 24 May 2006

Liquid chromatographic separation in metal-organic framework MIL-101: a molecular simulation study

scientific article published on 18 January 2013

Mechanistic insight into highly efficient gas permeation and separation in a shape-persistent ladder polymer membrane

scientific article published in April 2014

Metal-organic framework MIL-101 for adsorption and effect of terminal water molecules: from quantum mechanics to molecular simulation

scientific article published on 01 June 2010

Metal-organic framework supported ionic liquid membranes for CO2 capture: anion effects

scientific article published on 20 March 2012

Methanol-to-olefin conversion in ABC-6 zeolite cavities: unravelling the role of cavity shape and size from density functional theory calculations.

scientific article published on 12 March 2018

Microscopic insight into anion conduction in covalent−organic framework membranes: A molecular simulation study

scientific article published in 2022

Molecular Simulation and Analysis of Sorption Process toward Theoretical Prediction for Liquid Permeation through Membranes

scientific article published on 03 December 2018

Molecular dynamics simulations for water and ions in protein crystals

scientific article published on 5 March 2008

Molecular insight into adsorption and diffusion of alkane isomer mixtures in metal-organic frameworks

scientific article published on 01 July 2009

Molecular screening of metal-organic frameworks for CO2 storage

scientific article published on 17 May 2008

Molecular simulations for adsorptive separation of CO2/CH4 mixture in metal-exposed, catenated, and charged metal-organic frameworks

scientific article published on 01 May 2009

Molecular thermodynamic model for DNA melting in ionic and crowded solutions.

scientific article published on August 2010

Monte Carlo simulation for the adsorption and separation of linear and branched alkanes in IRMOF-1.

scientific article

Multilayered graphene oxide membranes for bioethanol purification: Microscopic insight from molecular simulation

scientific article published in 2022

Nitrogen and oxygen mixture adsorption on carbon nanotube bundles from molecular simulation.

scientific article published in December 2004

Phase behavior of gemini surfactant hexylene-1,6-bis(dodecyldimethylammonium bromide) and polyelectrolyte NaPAA.

scientific article published on 14 February 2006

Phase behavior of polyampholytes from charged hard-sphere chain model

scientific article published in April 2006

Polymer-induced phase separation and crystallization in immunoglobulin G solutions

scientific article

Pore size or geometry: which determines the shape and inverse-shape selective adsorption of alkane isomers?

scientific article published in May 2006

Porous organic cage membranes for water desalination: a simulation exploration

scientific article published in June 2017

Porous organic cages as synthetic water channels

scientific article published on 01 October 2020

Recognition of multiblock copolymers on nanopatterned surfaces: insight from molecular simulations

scientific article published on 01 February 2007

Role of solvent in protein phase behavior: Influence of temperature dependent potential

scientific article

Salt effect on the interactions between gemini surfactant and oppositely charged polyelectrolyte in aqueous solution

scientific article published on 20 November 2006

Self-assembly of amphiphilic peptide (AF)6H5K15 derivatives: roles of hydrophilic and hydrophobic residues.

scientific article

Self-assembly of amphiphilic peptide (AF)6H5K15: coarse-grained molecular dynamics simulation

scientific article published on 08 August 2013

Self-templated free-radical polymerization to form tactic chains in confined environment

scientific article

Separation of CO2 and N2 by adsorption in C168 schwarzite: a combination of quantum mechanics and molecular simulation study

scientific article published in August 2005

Separation of amino acids in glucose isomerase crystal: insight from molecular dynamics simulations.

scientific article published on 3 May 2009

Shape versus inverse-shape selective adsorption of alkane isomers in carbon nanotubes.

scientific article published on January 2006

Sorption-induced structural transition of zeolitic imidazolate framework-8: a hybrid molecular simulation study.

scientific article

Storage and separation of CO2 and CH4 in silicalite, C168 schwarzite, and IRMOF-1: a comparative study from Monte Carlo simulation

scientific article published in January 2007

Synthesis, characterization and capacitive performance of hydrous manganese dioxide nanostructures

scientific article published on 14 February 2011

Unprecedentedly high selective adsorption of gas mixtures in rho zeolite-like metal-organic framework: a molecular simulation study

scientific article published on 01 August 2009

Water in hydrated orthorhombic lysozyme crystal: Insight from atomistic simulations

scientific article published in August 2008

What are the key factors governing the nucleation of CO2 hydrate?

scientific article published on 22 May 2017

Zeolitic Imidazolate Framework Membranes for Organic Solvent Nanofiltration: A Molecular Simulation Exploration

scientific article published on 21 September 2018

Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: insight from molecular simulation

scientific article published on 01 April 2011

pH-sensitive drug loading/releasing in amphiphilic copolymer PAE-PEG: integrating molecular dynamics and dissipative particle dynamics simulations

scientific article published on 26 June 2012

Paulina is supported by:

About Paulina

Help