Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules
Abstract
Although computational models have been used to predict adsorption of molecules in large libraries of porous adsorbents, previous work of this kind has focused on a small number of molecules as potential adsorbates. In this paper we use molecular simulations to consider the adsorption of a diverse range of molecules in a large collection of metal-organic framework (MOF) materials. Specifically, we obtain 11,304 isotherms from molecular simulations of 24 different adsorbates in 471 MOFs. This information allows us to explore several interesting questions that could not be addressed with previously available data. Here, we introduce highly computationally efficient methods that can predict isotherms for a wide range of adsorbing molecules with far less computation than traditional molecular simulations. By characterizing the 276 binary mixtures defined by the molecules we considered, we show that “privileged” adsorbents exist that are effective for separating many different molecular mixtures. Finally, we show that correlations that have been developed previously to predict molecular solubility in polymers are surprisingly effective in predicting the average properties of molecules adsorbing in MOFs.
- Authors:
-
[1]
- Georgia Inst. of Technology, Atlanta, GA (United States). School of Chemical & Biomolecular Engineering
- Georgia Inst. of Technology, Atlanta, GA (United States). School of Chemical & Biomolecular Engineering; South China Univ. of Technology (SCUT), Guangzhou (China). School of Chemistry and Chemical Engineering
- Publication Date:
- Research Org.:
- Univ. of Minnesota, Minneapolis, MN (United States). Nanoporous Materials Genome Center
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)
- OSTI Identifier:
- 1460998
- Grant/Contract Number:
- SC0008688; AC02-06CH11357; 1604375
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ChemSusChem
- Additional Journal Information:
- Journal Volume: 11; Journal Issue: 9; Journal ID: ISSN 1864-5631
- Publisher:
- ChemPubSoc Europe
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; adsorption; high-throughput screening; metal–organic frameworks; molecular modeling; separations
Citation Formats
Tang, Dai, Wu, Ying, Verploegh, Ross J., and Sholl, David S. Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules. United States: N. p., 2018.
Web. doi:10.1002/cssc.201702289.
Tang, Dai, Wu, Ying, Verploegh, Ross J., & Sholl, David S. Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules. United States. https://doi.org/10.1002/cssc.201702289
Tang, Dai, Wu, Ying, Verploegh, Ross J., and Sholl, David S. Tue .
"Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules". United States. https://doi.org/10.1002/cssc.201702289. https://www.osti.gov/servlets/purl/1460998.
@article{osti_1460998,
title = {Efficiently Exploring Adsorption Space to Identify Privileged Adsorbents for Chemical Separations of a Diverse Set of Molecules},
author = {Tang, Dai and Wu, Ying and Verploegh, Ross J. and Sholl, David S.},
abstractNote = {Although computational models have been used to predict adsorption of molecules in large libraries of porous adsorbents, previous work of this kind has focused on a small number of molecules as potential adsorbates. In this paper we use molecular simulations to consider the adsorption of a diverse range of molecules in a large collection of metal-organic framework (MOF) materials. Specifically, we obtain 11,304 isotherms from molecular simulations of 24 different adsorbates in 471 MOFs. This information allows us to explore several interesting questions that could not be addressed with previously available data. Here, we introduce highly computationally efficient methods that can predict isotherms for a wide range of adsorbing molecules with far less computation than traditional molecular simulations. By characterizing the 276 binary mixtures defined by the molecules we considered, we show that “privileged” adsorbents exist that are effective for separating many different molecular mixtures. Finally, we show that correlations that have been developed previously to predict molecular solubility in polymers are surprisingly effective in predicting the average properties of molecules adsorbing in MOFs.},
doi = {10.1002/cssc.201702289},
journal = {ChemSusChem},
number = 9,
volume = 11,
place = {United States},
year = {Tue Apr 17 00:00:00 EDT 2018},
month = {Tue Apr 17 00:00:00 EDT 2018}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 46 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
In silico screening of carbon-capture materials
journal, May 2012
- Lin, Li-Chiang; Berger, Adam H.; Martin, Richard L.
- Nature Materials, Vol. 11, Issue 7
Hydrogen Storage in Metal–Organic Frameworks
journal, September 2011
- Suh, Myunghyun Paik; Park, Hye Jeong; Prasad, Thazhe Kootteri
- Chemical Reviews, Vol. 112, Issue 2, p. 782-835
Transferable Potentials for Phase Equilibria. 6. United-Atom Description for Ethers, Glycols, Ketones, and Aldehydes
journal, November 2004
- Stubbs, John M.; Potoff, Jeffrey J.; Siepmann, J. Ilja
- The Journal of Physical Chemistry B, Vol. 108, Issue 45
What Are the Best Materials To Separate a Xenon/Krypton Mixture?
journal, June 2015
- Simon, Cory M.; Mercado, Rocio; Schnell, Sondre K.
- Chemistry of Materials, Vol. 27, Issue 12
Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations
journal, January 2002
- Challa, Sivakumar R.; Sholl, David S.; Johnson, J. Karl
- The Journal of Chemical Physics, Vol. 116, Issue 2
Tuning oxygen-sensing behaviour of a porous coordination framework by a guest fluorophore
journal, January 2015
- Lin, Rui-Biao; Zhou, Hao-Long; He, Chun-Ting
- Inorganic Chemistry Frontiers, Vol. 2, Issue 12
Methane storage in metal–organic frameworks
journal, January 2014
- He, Yabing; Zhou, Wei; Qian, Guodong
- Chem. Soc. Rev., Vol. 43, Issue 16
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
journal, December 1992
- Rappe, A. K.; Casewit, C. J.; Colwell, K. S.
- Journal of the American Chemical Society, Vol. 114, Issue 25, p. 10024-10035
Controllable synthesis of microporous, nanotubular and mesocage-like metal–organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites
journal, January 2012
- Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li
- Journal of Materials Chemistry, Vol. 22, Issue 34
Accelerated Computational Analysis of Metal–Organic Frameworks for Oxidation Catalysis
journal, August 2016
- Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Xiao, Dianne J.
- The Journal of Physical Chemistry C, Vol. 120, Issue 33
The materials genome in action: identifying the performance limits for methane storage
journal, January 2015
- Simon, Cory M.; Kim, Jihan; Gomez-Gualdron, Diego A.
- Energy & Environmental Science, Vol. 8, Issue 4
High-Throughput Screening of Metal–Organic Frameworks for CO 2 Capture in the Presence of Water
journal, September 2016
- Li, Song; Chung, Yongchul G.; Snurr, Randall Q.
- Langmuir, Vol. 32, Issue 40
Transferable Potentials for Phase Equilibria. 7. Primary, Secondary, and Tertiary Amines, Nitroalkanes and Nitrobenzene, Nitriles, Amides, Pyridine, and Pyrimidine
journal, October 2005
- Wick, Collin D.; Stubbs, John M.; Rai, Neeraj
- The Journal of Physical Chemistry B, Vol. 109, Issue 40
Seven chemical separations to change the world
journal, April 2016
- Sholl, David S.; Lively, Ryan P.
- Nature, Vol. 532, Issue 7600
Computational Design of Metal–Organic Frameworks Based on Stable Zirconium Building Units for Storage and Delivery of Methane
journal, September 2014
- Gomez-Gualdron, Diego A.; Gutov, Oleksii V.; Krungleviciute, Vaiva
- Chemistry of Materials, Vol. 26, Issue 19
Ab initio carbon capture in open-site metal–organic frameworks
journal, August 2012
- Dzubak, Allison L.; Lin, Li-Chiang; Kim, Jihan
- Nature Chemistry, Vol. 4, Issue 10
How Reproducible Are Isotherm Measurements in Metal–Organic Frameworks?
journal, November 2017
- Park, Jongwoo; Howe, Joshua D.; Sholl, David S.
- Chemistry of Materials, Vol. 29, Issue 24
Transferable Potentials for Phase Equilibria. 4. United-Atom Description of Linear and Branched Alkenes and Alkylbenzenes
journal, August 2000
- Wick, Collin D.; Martin, Marcus G.; Siepmann, J. Ilja
- The Journal of Physical Chemistry B, Vol. 104, Issue 33
Control over Catenation in Metal−Organic Frameworks via Rational Design of the Organic Building Block
journal, January 2010
- Farha, Omar K.; Malliakas, Christos D.; Kanatzidis, Mercouri G.
- Journal of the American Chemical Society, Vol. 132, Issue 3
Adsorption of propane, propylene and isobutane on a metal–organic framework: Molecular simulation and experiment
journal, July 2009
- Lamia, Nabil; Jorge, Miguel; Granato, Miguel A.
- Chemical Engineering Science, Vol. 64, Issue 14, p. 3246-3259
Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials
journal, March 2014
- Gómez-Gualdrón, Diego A.; Wilmer, Christopher E.; Farha, Omar K.
- The Journal of Physical Chemistry C, Vol. 118, Issue 13
In silico prediction of MOFs with high deliverable capacity or internal surface area
journal, January 2015
- Bao, Yi; Martin, Richard L.; Haranczyk, Maciej
- Physical Chemistry Chemical Physics, Vol. 17, Issue 18
Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
journal, October 2014
- Chung, Yongchul G.; Camp, Jeffrey; Haranczyk, Maciej
- Chemistry of Materials, Vol. 26, Issue 21
Isosteric heats of multicomponent adsorption: thermodynamics and computer simulations
journal, December 1991
- Karavias, Fokion.; Myers, Alan L.
- Langmuir, Vol. 7, Issue 12
Extension of the Universal Force Field to Metal–Organic Frameworks
journal, January 2014
- Addicoat, Matthew A.; Vankova, Nina; Akter, Ismot Farjana
- Journal of Chemical Theory and Computation, Vol. 10, Issue 2
Next-Generation Force Fields from Symmetry-Adapted Perturbation Theory
journal, May 2016
- McDaniel, Jesse G.; Schmidt, J. R.
- Annual Review of Physical Chemistry, Vol. 67, Issue 1
Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization
journal, October 2016
- Bernales, Varinia; League, Aaron B.; Li, Zhanyong
- The Journal of Physical Chemistry C, Vol. 120, Issue 41
Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
journal, June 2006
- Park, K. S.; Ni, Z.; Cote, A. P.
- Proceedings of the National Academy of Sciences, Vol. 103, Issue 27, p. 10186-10191
Accurate Characterization of the Pore Volume in Microporous Crystalline Materials
journal, July 2017
- Ongari, Daniele; Boyd, Peter G.; Barthel, Senja
- Langmuir, Vol. 33, Issue 51
Continuous Fractional Component Monte Carlo: An Adaptive Biasing Method for Open System Atomistic Simulations
journal, May 2007
- Shi, Wei; Maginn, Edward J.
- Journal of Chemical Theory and Computation, Vol. 3, Issue 4
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
March 1998
- Martin, Marcus G.; Siepmann, J. Ilja
Some Topics in the Theory of Fluids
journal, December 1963
- Widom, B.
- The Journal of Chemical Physics, Vol. 39, Issue 11
Evaluation of Force Field Performance for High-Throughput Screening of Gas Uptake in Metal–Organic Frameworks
journal, January 2015
- McDaniel, Jesse G.; Li, Song; Tylianakis, Emmanouil
- The Journal of Physical Chemistry C, Vol. 119, Issue 6
Poly[[bis(dimethylformamide)[μ 7 -5,5′-(methylenedioxy)diisophthalato]dizinc] dimethylformamide monosolvate]
journal, September 2011
- Li, Chuan-Qiang; Qiu, Wen-Ge; He, Hong
- Acta Crystallographica Section E Structure Reports Online, Vol. 67, Issue 10
Research Challenges in Avoiding “Showstoppers” in Developing Materials for Large-Scale Energy Applications
journal, October 2017
- Walton, Krista S.; Sholl, David S.
- Joule, Vol. 1, Issue 2
Separating mixtures by exploiting molecular packing effects in microporous materials
journal, January 2015
- Krishna, Rajamani
- Physical Chemistry Chemical Physics, Vol. 17, Issue 1
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
journal, February 2012
- Willems, Thomas F.; Rycroft, Chris H.; Kazi, Michaeel
- Microporous and Mesoporous Materials, Vol. 149, Issue 1
Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation
journal, July 2017
- Chung, Yongchul G.; Bai, Peng; Haranczyk, Maciej
- Chemistry of Materials, Vol. 29, Issue 15
Fragment Database FDB-17
journal, April 2017
- Visini, Ricardo; Awale, Mahendra; Reymond, Jean-Louis
- Journal of Chemical Information and Modeling, Vol. 57, Issue 4
DFT-Derived Force Fields for Modeling Hydrocarbon Adsorption in MIL-47(V)
journal, July 2015
- Kulkarni, Ambarish R.; Sholl, David S.
- Langmuir, Vol. 31, Issue 30
Synthesis and Applications of Small Molecule Libraries
journal, January 1996
- Thompson, Lorin A.; Ellman, Jonathan A.
- Chemical Reviews, Vol. 96, Issue 1
From water to organics in membrane separations
journal, February 2017
- Lively, Ryan P.; Sholl, David S.
- Nature Materials, Vol. 16, Issue 3
Petroleomics: The Next Grand Challenge for Chemical Analysis
journal, January 2004
- Marshall, Alan G.; Rodgers, Ryan P.
- Accounts of Chemical Research, Vol. 37, Issue 1
Influence of simulation protocols on the efficiency of Gibbs ensemble Monte Carlo simulations
journal, December 2013
- Cortés Morales, Angel D.; Economou, Ioannis G.; Peters, Cornelis J.
- Molecular Simulation, Vol. 39, Issue 14-15
Defects in Metal–Organic Frameworks: Challenge or Opportunity?
journal, August 2015
- Sholl, David S.; Lively, Ryan P.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 17
Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations
journal, September 2015
- Dinpajooh, Mohammadhasan; Bai, Peng; Allan, Douglas A.
- The Journal of Chemical Physics, Vol. 143, Issue 11
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
journal, February 2015
- Dubbeldam, David; Calero, Sofía; Ellis, Donald E.
- Molecular Simulation, Vol. 42, Issue 2
Accelerating Applications of Metal–Organic Frameworks for Gas Adsorption and Separation by Computational Screening of Materials
journal, July 2012
- Watanabe, Taku; Sholl, David S.
- Langmuir, Vol. 28, Issue 40
Screening of Copper Open Metal Site MOFs for Olefin/Paraffin Separations Using DFT-Derived Force Fields
journal, September 2016
- Kulkarni, Ambarish R.; Sholl, David S.
- The Journal of Physical Chemistry C, Vol. 120, Issue 40
Heteroatom-Stabilized Chiral Framework of Aluminophosphate Molecular Sieves
journal, January 2009
- Song, Xiaowei; Li, Yi; Gan, Lin
- Angewandte Chemie International Edition, Vol. 48, Issue 2
Basis of Permeability/Selectivity Tradeoff Relations in Polymeric Gas Separation Membranes
journal, January 1999
- Freeman, Benny D.
- Macromolecules, Vol. 32, Issue 2
Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory
journal, August 2015
- Walton, Krista S.; Sholl, David S.
- AIChE Journal, Vol. 61, Issue 9
The p, V, T behavior of dense fluids V. The vapor pressure and saturated liquid density of xenon
journal, July 1970
- Theeuwes, Felix; Bearman, Richard J.
- The Journal of Chemical Thermodynamics, Vol. 2, Issue 4
Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials
journal, October 2011
- Manz, Thomas A.; Sholl, David S.
- Journal of Chemical Theory and Computation, Vol. 7, Issue 12
Lanthanide coordination polymers based on 5-(2′-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties
journal, January 2013
- Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu
- Dalton Transactions, Vol. 42, Issue 14
A Comprehensive Set of High-Quality Point Charges for Simulations of Metal–Organic Frameworks
journal, January 2016
- Nazarian, Dalar; Camp, Jeffrey S.; Sholl, David S.
- Chemistry of Materials, Vol. 28, Issue 3
A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC
journal, February 2014
- Torres-Knoop, Ariana; Balaji, Sayee Prasaad; Vlugt, Thijs J. H.
- Journal of Chemical Theory and Computation, Vol. 10, Issue 3
Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal–organic frameworks
journal, January 2012
- Sikora, Benjamin J.; Wilmer, Christopher E.; Greenfield, Michael L.
- Chemical Science, Vol. 3, Issue 7
Diamondoid Three-Dimensional Metal-Organic Framework Showing Structural Transformation with Guest Molecules
journal, October 2009
- Aijaz, Arshad; Barea, Elisa; Bharadwaj, Parimal K.
- Crystal Growth & Design, Vol. 9, Issue 10
Establishing upper bounds on CO 2 swing capacity in sub-ambient pressure swing adsorption via molecular simulation of metal–organic frameworks
journal, January 2017
- Park, Jongwoo; Lively, Ryan P.; Sholl, David S.
- Journal of Materials Chemistry A, Vol. 5, Issue 24
Heteroatom-Stabilized Chiral Framework of Aluminophosphate Molecular Sieves
journal, January 2009
- Song, Xiaowei; Li, Yi; Gan, Lin
- Angewandte Chemie, Vol. 121, Issue 2
A database of new zeolite-like materials
journal, January 2011
- Pophale, Ramdas; Cheeseman, Phillip A.; Deem, Michael W.
- Physical Chemistry Chemical Physics, Vol. 13, Issue 27
Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions
journal, June 2008
- Vlugt, T. J. H.; García-Pérez, E.; Dubbeldam, D.
- Journal of Chemical Theory and Computation, Vol. 4, Issue 7
In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO 2 separation
journal, January 2016
- Qiao, Zhiwei; Zhang, Kang; Jiang, Jianwen
- Journal of Materials Chemistry A, Vol. 4, Issue 6
High Propene/Propane Selectivity in Isostructural Metal-Organic Frameworks with High Densities of Open Metal Sites
journal, January 2012
- Bae, Youn-Sang; Lee, Chang Yeon; Kim, Ki Chul
- Angewandte Chemie International Edition, Vol. 51, Issue 8, p. 1857-1860
Large-scale screening of hypothetical metal–organic frameworks
journal, November 2011
- Wilmer, Christopher E.; Leaf, Michael; Lee, Chang Yeon
- Nature Chemistry, Vol. 4, Issue 2, p. 83-89
High Propene/Propane Selectivity in Isostructural Metal-Organic Frameworks with High Densities of Open Metal Sites
journal, January 2012
- Bae, Youn-Sang; Lee, Chang Yeon; Kim, Ki Chul
- Angewandte Chemie, Vol. 124, Issue 8
Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials
journal, July 2012
- Manz, Thomas A.; Sholl, David S.
- Journal of Chemical Theory and Computation, Vol. 8, Issue 8
Computational Screening of Bimetal-Functionalized Zr 6 O 8 MOF Nodes for Methane C–H Bond Activation
journal, July 2017
- Pahls, Dale R.; Ortuño, Manuel A.; Winegar, Peter H.
- Inorganic Chemistry, Vol. 56, Issue 15
Identification of Metal–Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions
journal, June 2012
- Van Heest, Timothy; Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.
- The Journal of Physical Chemistry C, Vol. 116, Issue 24, p. 13183-13195
Metal–organic framework with optimally selective xenon adsorption and separation
journal, June 2016
- Banerjee, Debasis; Simon, Cory M.; Plonka, Anna M.
- Nature Communications, Vol. 7, Issue 1
A stable Alq3@MOF composite for white-light emission
journal, January 2016
- Xie, Wei; He, Wen-Wen; Du, Dong-Ying
- Chemical Communications, Vol. 52, Issue 16
Monte Carlo Calculations for Alcohols and Their Mixtures with Alkanes. Transferable Potentials for Phase Equilibria. 5. United-Atom Description of Primary, Secondary, and Tertiary Alcohols
journal, April 2001
- Chen, Bin; Potoff, Jeffrey J.; Siepmann, J. Ilja
- The Journal of Physical Chemistry B, Vol. 105, Issue 15
Entropic Separation of Styrene/Ethylbenzene Mixtures by Exploitation of Subtle Differences in Molecular Configurations in Ordered Crystalline Nanoporous Adsorbents
journal, March 2015
- Torres-Knoop, Ariana; Heinen, Jurn; Krishna, Rajamani
- Langmuir, Vol. 31, Issue 12
The p, V, T behavior of dense fluids(2) III. The vapor pressure and orthobaric density of krypton
journal, March 1970
- Theeuwes, Felix; Bearman, Richard J.
- The Journal of Chemical Thermodynamics, Vol. 2, Issue 2
Finding MOFs for Highly Selective CO 2 /N 2 Adsorption Using Materials Screening Based on Efficient Assignment of Atomic Point Charges
journal, February 2012
- Haldoupis, Emmanuel; Nair, Sankar; Sholl, David S.
- Journal of the American Chemical Society, Vol. 134, Issue 9
Computational Identification and Experimental Evaluation of Metal–Organic Frameworks for Xylene Enrichment
journal, May 2016
- Gee, Jason A.; Zhang, Ke; Bhattacharyya, Souryadeep
- The Journal of Physical Chemistry C, Vol. 120, Issue 22
Transferable Potentials for Phase Equilibria. 8. United-Atom Description for Thiols, Sulfides, Disulfides, and Thiophene
journal, December 2005
- Lubna, Nusrat; Kamath, Ganesh; Potoff, Jeffrey J.
- The Journal of Physical Chemistry B, Vol. 109, Issue 50
Large-Scale Refinement of Metal−Organic Framework Structures Using Density Functional Theory
journal, November 2016
- Nazarian, Dalar; Camp, Jeffrey S.; Chung, Yongchul G.
- Chemistry of Materials, Vol. 29, Issue 6
Temperature-dependent urothermal synthesis of two distinct La(III)-naphthalenedicarboxylate frameworks
journal, March 2013
- Hou, Duan-Chuan; Jiang, Gui-Yuan; Zhao, Zhen
- Inorganic Chemistry Communications, Vol. 29
Solvatochromic Behavior of Chiral Mesoporous Metal-Organic Frameworks and Their Applications for Sensing Small Molecules and Separating Cationic Dyes
journal, January 2013
- Sun, Chun-Yi; Wang, Xin-Long; Qin, Chao
- Chemistry - A European Journal, Vol. 19, Issue 11
Temperature and Loading-Dependent Diffusion of Light Hydrocarbons in ZIF-8 as Predicted Through Fully Flexible Molecular Simulations
journal, December 2015
- Verploegh, Ross J.; Nair, Sankar; Sholl, David S.
- Journal of the American Chemical Society, Vol. 137, Issue 50
Petroleomics: The Next Grand Challenge for Chemical Analysis
journal, April 2004
- Marshall, Alan G.; Rodgers, Ryan P.
- ChemInform, Vol. 35, Issue 15
Fragment Database FDB-17
text, January 2017
- Visini, Ricardo; Awale, Mahendra; Reymond, Jean-Louis
- American Chemical Society
Privileged Chiral Catalysts
journal, September 2003
- Yoon, Tehshik P.; Jacobsen, Eric N.
- ChemInform, Vol. 34, Issue 35