研究成果

第 1 到 109 筆結果，共 109 筆。

公開日期標題作者來源出版物scopusWOS全文
12024A memory-rich conjugated microporous polymer-based electrochromic framework through two-in-one metal catalyst free routeSilori, Gaurav Kumar; Chien, Szu Chia; LI-CHIANG LIN ; KUO-CHUAN HO Chemical Engineering Journal
22024Rational design of reverse osmosis membranes for boron removal: A counter-intuitive relationship between boron rejection and pore sizeLyu, Qiang; LI-CHIANG LIN Separation and Purification Technology
32024In Silico Screening of Metal-organic Frameworks for Water HarvestingWang, Yi Ming; Datar, Archit; Xu, Zhi Xun; LI-CHIANG LIN Journal of Physical Chemistry C
42023Understanding Carbon Monoxide Binding and Interactions in M-MOF-74 (M = Mg, Mn, Ni, Zn)Pandey, Ishan; LI-CHIANG LIN ; Chen, Chau Chyun; Howe, Joshua D.Langmuir00
52023Design of Nanoporous Materials as Reverse Osmosis Membranes for Boron Removal: Pore Shape MattersHuang, Mao Yuan; Lyu, Qiang; Chien, Szu Chia; LI-CHIANG LIN Journal of Physical Chemistry C
62023Computing Mixture Adsorption in Porous Materials through Flat Histogram Monte Carlo MethodsChen, Hsuan Chu; LI-CHIANG LIN Langmuir : the ACS journal of surfaces and colloids00
72023Asymmetric nanoporous membranes for ethanol/water pervaporation separation and their designWang, Ting Yuan; Zou, Changlong; LI-CHIANG LIN Physical Chemistry Chemical Physics10
82023Simultaneously Probing Gaseous Diffusion and Adsorption Properties in Porous Materials Using Molecular Dynamics SimulationsLin, Min Hsien; LI-CHIANG LIN Journal of Physical Chemistry C00
92023Understanding Rapid PET Degradation via Reactive Molecular Dynamics Simulation and Kinetic ModelingMa, Shuangxiu Max; Zou, Changlong; Chen, Ting Yeh; Paulson, Joel A.; LI-CHIANG LIN ; Bakshi, Bhavik R.Journal of Physical Chemistry A00
102023Machine Learning-Aided Discovery of Nanoporous Materials for Energy- and Environmental-Related ApplicationsDatar, Archit; Lyu, Qiang; LI-CHIANG LIN AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials20
112023In Silico Study of Metal-Organic Frameworks for CO2/CO Separation: Molecular Simulations and Machine LearningSung, I. Ting; LI-CHIANG LIN Journal of Physical Chemistry C00
122023Connectivity Analysis of Adsorption Sites in Metal-Organic Frameworks for Facilitated Water AdsorptionXu, Zhi Xun; Wang, Yi Ming; LI-CHIANG LIN ACS Applied Materials and Interfaces00
132023Inverse CO2/C2H2 Separation with MFU-4 and Selectivity Reversal via Postsynthetic Ligand ExchangeLiu, Qiao; Cho, Sung Gu; Hilliard, Jordon; Wang, Ting Yuan; Chien, Szu Chia; LI-CHIANG LIN ; Co, Anne C.; Wade, Casey R.Angewandte Chemie - International Edition75
142022Highly-selective MOF-303 membrane for alcohol dehydrationLai, Jun Yu; Wang, Ting Yuan; Zou, Changlong; Chen, Jiun Jen; LI-CHIANG LIN ; DUN-YEN KANG Journal of Membrane Science78
152022A new measurement of amine steric hindrance – N exposureDeng, Xuepeng; Han, Yang; LI-CHIANG LIN ; Winston Ho, W. S.Separation and Purification Technology33
162022Investigating the impact of micropore volume of aminosilica functionalized SBA-15 on catalytic activity for amine-catalyzed reactionsDeshpande, Nitish; Chen, Jee Yee; Kobayashi, Takeshi; Cho, Eun Hyun; Pineault, Hannah; LI-CHIANG LIN ; Brunelli, Nicholas A.Journal of Catalysis33
172022Brunauer–Emmett–Teller Areas from Nitrogen and Argon Isotherms Are SimilarDatar, Archit; Yoon, Sunghyun; LI-CHIANG LIN ; Chung, Yongchul G.Langmuir33
182022X-ray Diffraction and Molecular Simulations in the Study of Metal-Organic Frameworks for Membrane Gas SeparationDUN-YEN KANG ; Lee, Jong Suk; LI-CHIANG LIN Langmuir : the ACS journal of surfaces and colloids56
192022Computational Study of Alkane Adsorption in Brønsted Acid Zeolites for More Efficient Alkane CrackingLI-CHIANG LIN Langmuir21
202022X-ray diffraction for probing free energy profiles and self-diffusivity of gases in metal-organic frameworksChiou, DS; Chuang, YC; Chang, CK; Hsu, Cheng-Hsun; LI-CHIANG LIN ; DUN-YEN KANG CRYSTENGCOMM11
212021NaP1 zeolite membranes with high selectivity for water-alcohol pervaporationGuo J.-C; Zou C; Chiang C.-Y; Chang T.-A; Chen J.-J; Lin L.-C; DUN-YEN KANG ; LI-CHIANG LIN Journal of Membrane Science1512
222021Pillared-bilayer metal-organic framework membranes for dehydration of isopropanolHsieh Y.-J; Zou C; Chen J.-J; Lin L.-C; DUN-YEN KANG ; LI-CHIANG LIN Microporous and Mesoporous Materials1411
232021Highly CO2 Selective Metal–Organic Framework Membranes with Favorable Coulombic EffectChiou D.-S.; Yu H.J.; Hung T.-H.; Lyu Q.; Chang C.-K.; Lee J.S.; Lin L.-C.; DUN-YEN KANG ; LI-CHIANG LIN Advanced Functional Materials3837
242021Toward Sustainable Metal-Organic Frameworks for Post-Combustion Carbon Capture by Life Cycle Assessment and Molecular SimulationHu J.; Gu X.; Lin L.-C.; Bakshi B.R.; LI-CHIANG LIN ACS Sustainable Chemistry and Engineering
252021Improving Computational Assessment of Porous Materials for Water Adsorption Applications via Flat Histogram MethodsDatar A.; Witman M.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry C
262021Nanoporous Material Recognition via 3D Convolutional Neural Networks: Prediction of Adsorption PropertiesCho E.H.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry Letters
272021Coulombic effect on permeation of CO2 in metal-organic framework membranesHung T.-H; Deng X; Lyu Q; Lin L.-C; DUN-YEN KANG ; LI-CHIANG LIN Journal of Membrane Science2018
282021Transport-Relevant Pore Limiting Diameter for Molecular Separations in Metal-Organic Framework MembranesHung T.-H; Lyu Q; Lin L.-C; DUN-YEN KANG ; LI-CHIANG LIN Journal of Physical Chemistry C54
292021A flame-retardant post-synthetically functionalized COF sponge as absorbent for spilled oil recoveryLiu Y.; Lyu Q.; Wang Z.; Sun Y.; Li C.; Sun S.; Lin L.-C.; Hu S.; LI-CHIANG LIN Journal of Materials Science
302021Solubility selectivity-enhanced SIFSIX-3-Ni-containing mixed matrix membranes for improved CO2/CH4 separation efficiencyShin J.H; Kan M.-Y; Oh J.-W; Yu H.J; Lin L.-C; Kim J.-H; Kang D.-Y; DUN-YEN KANG ; LI-CHIANG LIN Journal of Membrane Science1211
312021In Silico Screening of Zeolites for the Highly Selective Adsorption of Central C-C Bonds toward More Effective Alkane CrackingYang C.-T.; Deng X.; Lin L.-C.; LI-CHIANG LIN Industrial and Engineering Chemistry Research
322021Monte Carlo simulations for water adsorption in porous materials: Best practices and new insightsDatar A.; Witman M.; Lin L.-C.; LI-CHIANG LIN AIChE Journal
332021Suppressing Defect Formation in Metal-Organic Framework Membranes via Plasma-Assisted Synthesis for Gas SeparationsKan M.-Y; Lyu Q; Chu Y.-H; Hsu C.-C; Lu K.-L; Lin L.-C; DUN-YEN KANG ; JERRY CHENG-CHE HSU ; LI-CHIANG LIN ACS Applied Materials and Interfaces2015
342021Facile Defect Engineering of Zeolitic Imidazolate Frameworks towards Enhanced C3H6/C3H8 Separation PerformanceAn H; Cho K.Y; Lyu Q; Chiou D.-S; Nam K.J; Kang D.-Y; Lin L.-C; DUN-YEN KANG ; LI-CHIANG LIN Advanced Functional Materials2320
352020Exploiting interior surface functionalization in reverse osmosis desalination membranes to mitigate permeability–selectivity trade-off: Molecular simulations of nanotube-based membranesLyu, Q.; Kang, D.-Y. ; Hu, S.; LI-CHIANG LIN Desalination1214
362020Efficient and Accurate Charge Assignments via a Multilayer Connectivity-Based Atom Contribution (m-CBAC) ApproachZou C.; Penley D.R.; Cho E.H.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry C
372020Computational Evaluation of Carriers in Facilitated Transport Membranes for Postcombustion Carbon CaptureDeng X.; Zou C.; Han Y.; Lin L.-C.; Ho W.S.W.; LI-CHIANG LIN Journal of Physical Chemistry C
382020Potential and Design of Zeolite Nanosheets as Pervaporation Membranes for Ethanol ExtractionZou C.; Lin L.-C.; LI-CHIANG LIN Industrial and Engineering Chemistry Research
392020Machine learning-aided computational study of metal-organic frameworks for sour gas sweeteningCho E.H.; Deng X.; Zou C.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry C
402020Toward Long-Lasting Low-Haze Antifog Coatings through the Deposition of ZeolitesChang T.-A.; Chang, T.-A.; Hung T.-H.; Hu S.-W.; Tsao H.-K.; Zou C.; Lin L.-C.; Kang Y.-H.; Chen J.-J.; Kang D.-Y.; DUN-YEN KANG ; LI-CHIANG LIN Industrial and Engineering Chemistry Research55
412020Fundamental Insights on Hydration Environment of Boric Acid and Its Role in Separation from Saline WaterRisplendi F.; Raffone F.; Lin L.-C.; Grossman J.C.; Cicero G.; LI-CHIANG LIN Journal of Physical Chemistry C
422020Beyond the BET Analysis: The Surface Area Prediction of Nanoporous Materials Using a Machine Learning MethodDatar A.; Chung Y.G.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry Letters
432019Activation-Controlled Structure Deformation of Pillared-Bilayer Metal-Organic Framework Membranes for Gas SeparationsKan, M.-Y.; Shin, J.H.; Yang, C.-T.; Chang, C.-K.; Lee, L.-W.; Chen, B.-H.; Lu, K.-L.; Lee, J.S.; Lin, L.-C.; DUN-YEN KANG ; LI-CHIANG LIN Chemistry of Materials2928
442019Surface Area Determination of Porous Materials Using the Brunauer-Emmett-Teller (BET) Method: Limitations and ImprovementsSinha P.; Datar A.; Jeong C.; Deng X.; Chung Y.G.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry C
452019Excimer-Mediated Intermolecular Charge Transfer in Self-Assembled Donor-Acceptor Dyes on Metal OxidesYu Y.; Chien S.-C.; Sun J.; Hettiaratchy E.C.; Myers R.C.; Lin L.-C.; Wu Y.; LI-CHIANG LIN Journal of the American Chemical Society
462019Electrostatic Potential Optimized Molecular Models for Molecular Simulations: CO, CO2, COS, H2S, N2, N2O, and SO2Cho E.H.; Lin L.-C.; LI-CHIANG LIN Journal of Chemical Theory and Computation
472019Exploring the Potential of Defective UiO-66 as Reverse Osmosis Membranes for DesalinationLyu Q.; Deng X.; Hu S.; Lin L.-C.; Ho W.S.W.; LI-CHIANG LIN Journal of Physical Chemistry C
482019Response to “Impact of Zeolite Structure on Entropic–Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study”Janda A.; Lin L.-C.; Vlaisavljevich B.; Van der Mynsbrugge J.; Bell A.T.; LI-CHIANG LIN Chemistry - A European Journal
492019Aggregation Behavior of Inorganic 2D Nanomaterials beyond Graphene: Insights from Molecular Modeling and Modified DLVO TheoryMohona T.M.; Gupta A.; Masud A.; Chien S.-C.; Lin L.-C.; Nalam P.C.; Aich N.; LI-CHIANG LIN Environmental Science and Technology
502019Tuning molecular structure of tertiary amine catalysts for glucose isomerizationDeshpande N.; Cho E.H.; Spanos A.P.; Lin L.-C.; Brunelli N.A.; LI-CHIANG LIN Journal of Catalysis
512019Decoupling pH dependence of flat band potential in aqueous dye-sensitized electrodesYu Y.; Click K.A.; Chien S.-C.; Sun J.; Curtze A.; Lin L.-C.; Wu Y.; LI-CHIANG LIN Journal of Physical Chemistry C
522019Hexagonal Superalignment of Nano-Objects with Tunable Separation in a Dilute and Spacer-Free SolutionSu, C.-Y.; Lyu, Q.; Kang, D.-Y.; Yang, Z.-H.; Lam, C.H.; Chen, Y.-H.; Lo, S.-C.; Hua, C.-C.; DUN-YEN KANG ; LI-CHIANG LIN Physical Review Letters109
532019Computational discovery of nanoporous materials for energy- and environment-related applicationsCho E.H.; Lyu Q.; Lin L.-C.; LI-CHIANG LIN Molecular Simulation
542018Investigation of the Water Adsorption Properties and Structural Stability of MIL-100(Fe) with Different AnionsChen Y.-R.; Liou K.-H.; Kang D.-Y. ; Chen J.-J.; LI-CHIANG LIN Langmuir3232
552018Understanding Br?nsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and TheoryVan der Mynsbrugge J.; Janda A.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN ChemPhysChem
562018Bioinspired Metal-Organic Framework for Trace CO2 CaptureBien C.E.; Chen K.K.; Chien S.-C.; Reiner B.R.; Lin L.-C.; Wade C.R.; Ho W.S.W.; LI-CHIANG LIN Journal of the American Chemical Society
572018Role of Structural Defects in the Water Adsorption Properties of MOF-801Choi J.; Lin L.-C.; Grossman J.C.; LI-CHIANG LIN Journal of Physical Chemistry C
582018Atomistic Investigations of the Effects of Si/Al Ratio and Al Distribution on the Adsorption Selectivity of n-Alkanes in Br?nsted-Acid ZeolitesYang C.-T.; Janda A.; Bell A.T.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry C
592018Polarizable Force Field for CO2 in M-MOF-74 Derived from Quantum MechanicsBecker T.M.; Lin L.-C.; Dubbeldam D.; Vlugt T.J.H.; LI-CHIANG LIN Journal of Physical Chemistry C
602018Rational Design of Two-Dimensional Hydrocarbon Polymer as Ultrathin-Film Nanoporous Membranes for Water DesalinationLyu Q.; Sun S.; Li C.; Hu S.; Lin L.-C.; LI-CHIANG LIN ACS Applied Materials and Interfaces
612018Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal–Organic FrameworksYang C.-T.; Kshirsagar A.R.; Eddin A.C.; Lin L.-C.; Poloni R.; LI-CHIANG LIN Chemistry - A European Journal
622018Understanding Br?nsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and TheoryVan der Mynsbrugge J.; Janda A.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN ChemPhysChem
632018Potential of polarizable force fields for predicting the separation performance of small hydrocarbons in M-MOF-74Becker T.M.; Luna-Triguero A.; Vicent-Luna J.M.; Lin L.-C.; Dubbeldam D.; Calero S.; Vlugt T.J.H.; LI-CHIANG LIN Physical Chemistry Chemical Physics
642018Transferability of CO2 Force Fields for Prediction of Adsorption Properties in All-Silica ZeolitesLim J.R.; Yang C.-T.; Kim J.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry C
652018Exploring the potential and design of zeolite nanosheets as pervaporation membranes for ethanol extractionZou C.; Lin L.-C.; LI-CHIANG LIN Chemical Communications
662018Systematic molecular model development with reliable charge distributions for gaseous adsorption in nanoporous materialsCho E.H.; Lin L.-C.; LI-CHIANG LIN Journal of Materials Chemistry A
672017Investigating the Potential of Single-Walled Aluminosilicate Nanotubes in Water DesalinationLiou K.-H.; Kang D.-Y. ; LI-CHIANG LIN ChemPhysChem2422
682017Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation of n-Butane in Br?nsted Acidic ZeolitesVan Der Mynsbrugge J.; Janda A.; Mallikarjun Sharada S.; Lin L.-C.; Van Speybroeck V.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN ACS Catalysis
692017Effects of pore and cage topology on the thermodynamics of n-alkane adsorption at Br?nsted protons in zeolites at high temperatureJanda A.; Vlaisavljevich B.; Smit B.; Lin L.-C.; Bell A.T.; LI-CHIANG LIN Journal of Physical Chemistry C
702017Atomistic Understanding of Zeolite Nanosheets for Water DesalinationJamali S.H.; Vlugt T.J.H.; Lin L.-C.; LI-CHIANG LIN Journal of Physical Chemistry C
712017Selectively converting glucose to fructose using immobilized tertiary aminesDeshpande N.; Pattanaik L.; Whitaker M.R.; Yang C.-T.; Lin L.-C.; Brunelli N.A.; LI-CHIANG LIN Journal of Catalysis
722017Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74Becker T.M.; Heinen J.; Dubbeldam D.; Lin L.-C.; Vlugt T.J.H.; LI-CHIANG LIN Journal of Physical Chemistry C
732017Understanding gas adsorption in MOF-5/graphene oxide composite materialsLin L.-C.; Paik D.; Kim J.; LI-CHIANG LIN Physical Chemistry Chemical Physics
742016High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gasBraun E.; Zurhelle A.F.; Thijssen W.; Schnell S.K.; Lin L.-C.; Kim J.; Thompson J.A.; Smit B.; LI-CHIANG LIN Molecular Systems Design and Engineering
752016Multilayer Nanoporous Graphene Membranes for Water DesalinationCohen-Tanugi D.; Lin L.-C.; Grossman J.C.; LI-CHIANG LIN Nano Letters
762016Assessing the Surface Area of Porous Solids: Limitations, Probe Molecules, and MethodsDe Lange M.F.; Lin L.-C.; Gascon J.; Vlugt T.J.H.; Kapteijn F.; LI-CHIANG LIN Langmuir
772016Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-ButaneJanda A.; Vlaisavljevich B.; Lin L.-C.; Smit B.; Bell A.T.; LI-CHIANG LIN Journal of the American Chemical Society
782016Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligandsFan Z.; Lin L.-C.; Buijs W.; Vlugt T.J.H.; Van Huis M.A.; LI-CHIANG LIN Nature Communications
792016Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic FrameworksMercado R.; Vlaisavljevich B.; Lin L.-C.; Lee K.; Lee Y.; Mason J.A.; Xiao D.J.; Gonzalez M.I.; Kapelewski M.T.; Neaton J.B.; Smit B.; LI-CHIANG LIN Journal of Physical Chemistry C
802016Investigating polarization effects of CO2 adsorption in MgMOF-74Becker T.M.; Dubbeldam D.; Lin L.-C.; Vlugt T.J.H.; LI-CHIANG LIN Journal of Computational Science
812015Adsorption thermodynamics and intrinsic activation parameters for monomolecular cracking of n-alkanes on br?nsted acid sites in zeolitesJanda A.; Vlaisavljevich B.; Lin L.-C.; Mallikarjun Sharada S.; Smit B.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN Journal of Physical Chemistry C
822015Nanoporous Materials Can Tune the Critical Point of a Pure SubstanceBraun E.; Chen J.J.; Schnell S.K.; Lin L.-C.; Reimer J.A.; Smit B.; LI-CHIANG LIN Angewandte Chemie - International Edition
832015Metal-Organic Frameworks in Adsorption-Driven Heat Pumps: The Potential of Alcohols as Working FluidsDe Lange M.F.; Van Velzen B.L.; Ottevanger C.P.; Verouden K.J.F.M.; Lin L.-C.; Vlugt T.J.H.; Gascon J.; Kapteijn F.; LI-CHIANG LIN Langmuir
842015Small-molecule adsorption in open-site metal-organic frameworks: A systematic density functional theory study for rational designLee K.; Howe J.D.; Lin L.-C.; Smit B.; Neaton J.B.; LI-CHIANG LIN Chemistry of Materials
852015Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalinationLin L.-C.; Choi J.; Grossman J.C.; LI-CHIANG LIN Chemical Communications
862015Water adsorption in metal-organic frameworks with open-metal sitesPeng X.; Lin L.-C.; Sun W.; Smit B.; LI-CHIANG LIN AIChE Journal
872015Atomistic understandings of reduced graphene oxide as an ultrathin-film nanoporous membrane for separationsLin L.-C.; Grossman J.C.; LI-CHIANG LIN Nature Communications
882014Evaluating different classes of porous materials for carbon captureHuck J.M.; Lin L.-C.; Berger A.H.; Shahrak M.N.; Martin R.L.; Bhown A.S.; Haranczyk M.; Reuter K.; Smit B.; LI-CHIANG LIN Energy and Environmental Science
892014Efficient determination of accurate force fields for porous materials using ab initio total energy calculationsKim J.; Lin L.-C.; Lee K.; Neaton J.B.; Smit B.; LI-CHIANG LIN Journal of Physical Chemistry C
902014Design of a metal-organic framework with enhanced back bonding for separation of N2 and CH4Lee K.; Isley III W.C.; Dzubak A.L.; Verma P.; Stoneburner S.J.; Lin L.-C.; Howe J.D.; Bloch E.D.; Reed D.A.; Hudson M.R.; Brown C.M.; Long J.R.; Neaton J.B.; Smit B.; Cramer C.J.; Truhlar D.G.; Gagliardi L.; LI-CHIANG LIN Journal of the American Chemical Society
912014Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2 and NOx from flue gasesSun W.; Lin L.-C.; Peng X.; Smit B.; LI-CHIANG LIN AIChE Journal
922014Force-field development from electronic structure calculations with periodic boundary conditions: Applications to gaseous adsorption and transport in metal-organic frameworksLin L.-C.; Lee K.; Gagliardi L.; Neaton J.B.; Smit B.; LI-CHIANG LIN Journal of Chemical Theory and Computation
932014A hybrid absorption-adsorption method to efficiently capture carbonLiu H.; Liu B.; Lin L.-C.; Chen G.; Wu Y.; Wang J.; Gao X.; Lv Y.; Pan Y.; Zhang X.; Zhang X.; Yang L.; Sun C.; Smit B.; Wang W.; LI-CHIANG LIN Nature Communications
942014CO2 adsorption in Fe2(dobdc): A classical force field parameterized from quantum mechanical calculationsBorycz J.; Lin L.-C.; Bloch E.D.; Kim J.; Dzubak A.L.; Maurice R.; Semrouni D.; Lee K.; Smit B.; Gagliardi L.; LI-CHIANG LIN Journal of Physical Chemistry C
952014Reversible CO binding enables tunable CO/H2 and CO/N2 separations in metal-organic frameworks with exposed divalent metal cationsBloch E.D.; Hudson M.R.; Mason J.A.; Chavan S.; Crocell? V.; Howe J.D.; Lee K.; Dzubak A.L.; Queen W.L.; Zadrozny J.M.; Geier S.J.; Lin L.-C.; Gagliardi L.; Smit B.; Neaton J.B.; Bordiga S.; Brown C.M.; Long J.R.; LI-CHIANG LIN Journal of the American Chemical Society
962014Optimizing nanoporous materials for gas storageSimon C.M.; Kim J.; Lin L.-C.; Martin R.L.; Haranczyk M.; Smit B.; LI-CHIANG LIN Physical Chemistry Chemical Physics
972013The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal-organic frameworkPlanas N.; Dzubak A.L.; Poloni R.; Lin L.-C.; McManus A.; McDonald T.M.; Neaton J.B.; Long J.R.; Smit B.; Gagliardi L.; LI-CHIANG LIN Journal of the American Chemical Society
982013Evaluating mixture adsorption models using molecular simulationSwisher J.A.; Lin L.-C.; Kim J.; Smit B.; LI-CHIANG LIN AIChE Journal
992013Methane storage capabilities of diamond analoguesHaranczyk M.; Lin L.-C.; Lee K.; Martin R.L.; Neaton J.B.; Smit B.; LI-CHIANG LIN Physical Chemistry Chemical Physics
1002013Large-scale screening of zeolite structures for CO2 membrane separationsKim J.; Abouelnasr M.; Lin L.-C.; Smit B.; LI-CHIANG LIN Journal of the American Chemical Society
1012013New materials for methane capture from dilute and medium-concentration sourcesKim J.; Maiti A.; Lin L.-C.; Stolaroff J.K.; Smit B.; Aines R.D.; LI-CHIANG LIN Nature Communications
1022013Understanding CO2 dynamics in metal-organic frameworks with open metal sitesLin L.-C.; Kim J.; Kong X.; Scott E.; McDonald T.M.; Long J.R.; Reimer J.A.; Smit B.; LI-CHIANG LIN Angewandte Chemie - International Edition
1032013Mail-order metal-organic frameworks (MOFs): Designing isoreticular MOF-5 analogues comprising commercially available organic moleculesMartin R.L.; Lin L.-C.; Jariwala K.; Smit B.; Haranczyk M.; LI-CHIANG LIN Journal of Physical Chemistry C
1042012Similarity-driven discovery of zeolite materials for adsorption-based separationsMartin R.L.; Willems T.F.; Lin L.-C.; Kim J.; Swisher J.A.; Smit B.; Haranczyk M.; LI-CHIANG LIN ChemPhysChem
1052012Large-scale computational screening of zeolites for ethane/ethene separationKim J.; Lin L.-C.; Martin R.L.; Swisher J.A.; Haranczyk M.; Smit B.; LI-CHIANG LIN Langmuir
1062012Ab initio carbon capture in open-site metal-organic frameworksDzubak A.L.; Lin L.-C.; Kim J.; Swisher J.A.; Poloni R.; Maximoff S.N.; Smit B.; Gagliardi L.; LI-CHIANG LIN Nature Chemistry
1072012In silico screening of carbon-capture materialsLin L.-C.; Berger A.H.; Martin R.L.; Kim J.; Swisher J.A.; Jariwala K.; Rycroft C.H.; Bhown A.S.; Deem M.W.; Haranczyk M.; Smit B.; LI-CHIANG LIN Nature Materials
1082012Predicting large CO2 adsorption in aluminosilicate zeolites for postcombustion carbon dioxide captureKim J.; Lin L.-C.; Swisher J.A.; Haranczyk M.; Smit B.; LI-CHIANG LIN Journal of the American Chemical Society
1092009Use of Excess Reactant in the Design of Reactive DistillationLin L.-C.; Cheng J.-K.; Yu C.-C.; LI-CHIANG LIN Computer Aided Chemical Engineering