-
1
-
-
0034003664
-
Highly Porous and Stable Metal-Organic Frameworks: Structure Design and Sorption Properties
-
Eddaoudi, M.; Li, H. L.; Yaghi, O. M. Highly Porous and Stable Metal-Organic Frameworks: Structure Design and Sorption Properties J. Am. Chem. Soc. 2000, 122, 1391
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 1391
-
-
Eddaoudi, M.1
Li, H.L.2
Yaghi, O.M.3
-
2
-
-
0033581908
-
Design and Synthesis of an Exceptionally Stable and Highly Porous Metal-Organic Framework
-
Li, H.; Eddaoudi, M.; OKeeffe, M.; Yaghi, O. M. Design and Synthesis of an Exceptionally Stable and Highly Porous Metal-Organic Framework Nature 1999, 402, 276
-
(1999)
Nature
, vol.402
, pp. 276
-
-
Li, H.1
Eddaoudi, M.2
Okeeffe, M.3
Yaghi, O.M.4
-
3
-
-
0038128307
-
Reticular Synthesis and the Design of New Materials
-
Yaghi, O. M.; OKeeffe, M.; Ockwig, N. W.; Chae, H. K.; Eddaoudi, M.; Kim, J. Reticular Synthesis and the Design of New Materials Nature 2003, 423, 705
-
(2003)
Nature
, vol.423
, pp. 705
-
-
Yaghi, O.M.1
Okeeffe, M.2
Ockwig, N.W.3
Chae, H.K.4
Eddaoudi, M.5
Kim, J.6
-
4
-
-
0037127013
-
Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage
-
Eddaoudi, M.; Kim, J.; Rosi, N.; Vodak, D.; Wachter, J.; O'Keeffe, M.; Yaghi, O. M. Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage Science 2002, 295, 469
-
(2002)
Science
, vol.295
, pp. 469
-
-
Eddaoudi, M.1
Kim, J.2
Rosi, N.3
Vodak, D.4
Wachter, J.5
O'keeffe, M.6
Yaghi, O.M.7
-
5
-
-
29844455827
-
Metal-Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature
-
Millward, A. R.; Yaghi, O. M. Metal-Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature J. Am. Chem. Soc. 2005, 127, 17998
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 17998
-
-
Millward, A.R.1
Yaghi, O.M.2
-
6
-
-
65349138924
-
Recent Advances on Simulation and Theory of Hydrogen Storage in Metal-Organic Frameworks and Covalent Organic Frameworks
-
Han, S. S.; Mendoza-Cortes, J. L.; Goddard, W. A., III Recent Advances on Simulation and Theory of Hydrogen Storage in Metal-Organic Frameworks and Covalent Organic Frameworks Chem. Soc. Rev. 2009, 38, 1460
-
(2009)
Chem. Soc. Rev.
, vol.38
, pp. 1460
-
-
Han, S.S.1
Mendoza-Cortes, J.L.2
Goddard III, W.A.3
-
8
-
-
52649091809
-
2 Storage of Hexagonal Metal-Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations
-
2 Storage of Hexagonal Metal-Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations J. Phys. Chem. C 2008, 112, 13431
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 13431
-
-
Han, S.S.1
Goddard III, A.W.2
-
10
-
-
34249064842
-
Design for Hydrogen Storage Materials via Observation of Adsorption Sites by Computer Tomography
-
Zhang, L.; Wang, Q.; Liu, Y.-C. Design for Hydrogen Storage Materials via Observation of Adsorption Sites by Computer Tomography J. Phys. Chem. B 2007, 111, 4291
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 4291
-
-
Zhang, L.1
Wang, Q.2
Liu, Y.-C.3
-
11
-
-
34548229842
-
Improved Designs of Metal-Organic Frameworks for Hydrogen Storage
-
Han, S. S.; Deng, W.-Q.; Goddard, W. A. I. Improved Designs of Metal-Organic Frameworks for Hydrogen Storage Angew. Chem. Int. Ed. 2007, 46, 6289
-
(2007)
Angew. Chem. Int. Ed.
, vol.46
, pp. 6289
-
-
Han, S.S.1
Deng, W.-Q.2
Goddard, W.A.I.3
-
12
-
-
71649113439
-
Adsorption and Diffusion of Carbon Dioxide on Metal-Organic Framework (MOF-5)
-
Zhao, Z. X.; Li, Z.; Lin, Y. S. Adsorption and Diffusion of Carbon Dioxide on Metal-Organic Framework (MOF-5) Ind. Eng. Chem. Res. 2009, 48, 10015
-
(2009)
Ind. Eng. Chem. Res.
, vol.48
, pp. 10015
-
-
Zhao, Z.X.1
Li, Z.2
Lin, Y.S.3
-
14
-
-
50849100693
-
Metal-Organic Framework Adsorbent for Biogas Upgrading
-
Cavenati, S.; Grande, C. A.; Rodrigues, A. E. Metal-Organic Framework Adsorbent for Biogas Upgrading Ind. Eng. Chem. Res. 2008, 47, 6333
-
(2008)
Ind. Eng. Chem. Res.
, vol.47
, pp. 6333
-
-
Cavenati, S.1
Grande, C.A.2
Rodrigues, A.E.3
-
15
-
-
65249107223
-
Adsorption and Separation of Noble Gases by IRMOF-1: Grand Canonical Monte Carlo Simulations
-
Greathouse, J. A.; Kinnibrugh, T. L.; Allendorf, M. D. Adsorption and Separation of Noble Gases by IRMOF-1: Grand Canonical Monte Carlo Simulations Ind. Eng. Chem. Res. 2009, 48, 3425
-
(2009)
Ind. Eng. Chem. Res.
, vol.48
, pp. 3425
-
-
Greathouse, J.A.1
Kinnibrugh, T.L.2
Allendorf, M.D.3
-
16
-
-
65249114798
-
Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal-Organic Framework Materials
-
Keskin, S.; Liu, J.; Rankin, R. B.; Johnson, J. K.; Sholl, D. S. Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal-Organic Framework Materials Ind. Eng. Chem. Res. 2009, 48, 2355
-
(2009)
Ind. Eng. Chem. Res.
, vol.48
, pp. 2355
-
-
Keskin, S.1
Liu, J.2
Rankin, R.B.3
Johnson, J.K.4
Sholl, D.S.5
-
17
-
-
33749683984
-
Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal-Organic Frameworks
-
Yang, Q. Y.; Zhong, C. L. Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal-Organic Frameworks J. Phys. Chem. B 2006, 110, 17776
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 17776
-
-
Yang, Q.Y.1
Zhong, C.L.2
-
19
-
-
44649144663
-
4 in Silicalite, C-168 Schwarzite, and IRMOF-1: A Comparative Study from Molecular Dynamics Simulation
-
4 in Silicalite, C-168 Schwarzite, and IRMOF-1: A Comparative Study from Molecular Dynamics Simulation Langmuir 2008, 24, 5474
-
(2008)
Langmuir
, vol.24
, pp. 5474
-
-
Babarao, R.1
Jiang, J.W.2
-
20
-
-
68849125843
-
Unprecedentedly High Selective Adsorption of Gas Mixtures in Rho Zeolite-like Metal-Organic Framework: A Molecular Simulation Study
-
Babarao, R.; Jiang, J. W. Unprecedentedly High Selective Adsorption of Gas Mixtures in Rho Zeolite-like Metal-Organic Framework: A Molecular Simulation Study J. Am. Chem. Soc. 2009, 131, 11417
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 11417
-
-
Babarao, R.1
Jiang, J.W.2
-
21
-
-
66549104850
-
4 Mixture in Metal-Exposed, Catenated, and Charged Metal-Organic Frameworks
-
4 Mixture in Metal-Exposed, Catenated, and Charged Metal-Organic Frameworks Langmuir 2009, 25, 5239
-
(2009)
Langmuir
, vol.25
, pp. 5239
-
-
Babarao, R.1
Jiang, J.2
Sandler, S.I.3
-
23
-
-
67651099142
-
Atomically-Detailed Models of Gas Mixture Diffusion through CuBTC Membranes
-
Keskin, S.; Liu, J.; Johnson, J. K.; Sholl, D. S. Atomically-Detailed Models of Gas Mixture Diffusion through CuBTC Membranes Microporous Mesoporous Mater. 2009, 125, 101
-
(2009)
Microporous Mesoporous Mater.
, vol.125
, pp. 101
-
-
Keskin, S.1
Liu, J.2
Johnson, J.K.3
Sholl, D.S.4
-
24
-
-
78751665775
-
Atomistic Simulations for Adsorption, Diffusion and Separation of Gas Mixtures in Zeolite Imidazolate Frameworks
-
Keskin, S. Atomistic Simulations for Adsorption, Diffusion and Separation of Gas Mixtures in Zeolite Imidazolate Frameworks J. Phys. Chem. C 2011, 115, 800
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 800
-
-
Keskin, S.1
-
25
-
-
70349925710
-
Efficient Methods for Screening of Metal-Organic Framework Membranes for Gas Separations Using Atomically Detailed Models
-
Keskin, S.; Sholl, D. S. Efficient Methods for Screening of Metal-Organic Framework Membranes for Gas Separations Using Atomically Detailed Models Langmuir 2009, 25, 11786
-
(2009)
Langmuir
, vol.25
, pp. 11786
-
-
Keskin, S.1
Sholl, D.S.2
-
27
-
-
78651390660
-
Temperature Dependent Selective Gas Sorption of Unprecedented Stable Microporous Metal-Imidazolate Framework
-
Chen, S.-S.; Chen, M.; Takamizawa, S.; Chen, M.-S.; Sua, Z; Sun, W.-Y. Temperature Dependent Selective Gas Sorption of Unprecedented Stable Microporous Metal-Imidazolate Framework Chem. Commun 2011, 47, 752
-
(2011)
Chem. Commun
, vol.47
, pp. 752
-
-
Chen, S.-S.1
Chen, M.2
Takamizawa, S.3
Chen, M.-S.4
Sua, Z.5
Sun, W.-Y.6
-
28
-
-
0042041206
-
UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations
-
Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations J. Am. Chem. Soc. 1992, 114, 10024
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 10024
-
-
Rappe, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard, W.A.4
Skiff, W.M.5
-
29
-
-
0035389955
-
Vapor-Liquid Equilibria of Mixtures Contaning Alkanes, Carbon Dioxide, and Nitrogen
-
Potoff, J. J.; Siepmann, J. I. Vapor-Liquid Equilibria of Mixtures Contaning Alkanes, Carbon Dioxide, and Nitrogen AIChE J. 2001, 47, 1676
-
(2001)
AIChE J.
, vol.47
, pp. 1676
-
-
Potoff, J.J.1
Siepmann, J.I.2
-
31
-
-
24944463854
-
Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations
-
Skoulidas, A. I.; Sholl, D. S. Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations J. Phys. Chem. B 2005, 109, 15760
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 15760
-
-
Skoulidas, A.I.1
Sholl, D.S.2
-
32
-
-
22844446498
-
Adsorption of Gases in Metal Organic Materials: Comparison of Simulations and Experiments
-
Garberoglio, G.; Skoulidas, A. I.; Johnson, J. K. Adsorption of Gases in Metal Organic Materials: Comparison of Simulations and Experiments J. Phys. Chem. B 2005, 109, 13094
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 13094
-
-
Garberoglio, G.1
Skoulidas, A.I.2
Johnson, J.K.3
-
33
-
-
77949862484
-
A General Approach for Estimating Framework Charges in Metal-Organic Frameworks
-
Xu, Q.; Zhong, C A General Approach for Estimating Framework Charges in Metal-Organic Frameworks J. Phys. Chem. C 2010, 114, 5035
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 5035
-
-
Xu, Q.1
Zhong, C.2
-
35
-
-
0344984229
-
Molecular Dynamics of Self, Corrected, and Transport Diffusivities of Light Gases in Four Silica Zeolites to Assess Influences of Pore Shape and Connectivity
-
Skoulidas, A. I.; Sholl, D. S. Molecular Dynamics of Self, Corrected, and Transport Diffusivities of Light Gases in Four Silica Zeolites To Assess Influences of Pore Shape and Connectivity J. Phys. Chem. A 2003, 107, 10132
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 10132
-
-
Skoulidas, A.I.1
Sholl, D.S.2
-
36
-
-
3342922327
-
Thermodynamics of Mixed-Gas Adsorption
-
Myers, A. L.; Prausnitz, J. M. Thermodynamics of Mixed-Gas Adsorption AIChE J. 1965, 11, 121
-
(1965)
AIChE J.
, vol.11
, pp. 121
-
-
Myers, A.L.1
Prausnitz, J.M.2
-
37
-
-
34249899424
-
Examining the Accuracy of Ideal Adsorbed Solution Theory without Curve-Fitting Using Transition Matrix Monte Carlo Simulations
-
Chen, H.; Sholl, D. S. Examining the Accuracy of Ideal Adsorbed Solution Theory without Curve-Fitting Using Transition Matrix Monte Carlo Simulations Langmuir 2007, 23, 6431
-
(2007)
Langmuir
, vol.23
, pp. 6431
-
-
Chen, H.1
Sholl, D.S.2
-
39
-
-
50849141308
-
Effect of Open Metal Sites on Adsorption of Polar and Nonpolar Molecules in Metal-Organic Framework Cu-BTC
-
Karra, J. R.; Walton, K. S. Effect of Open Metal Sites on Adsorption of Polar and Nonpolar Molecules in Metal-Organic Framework Cu-BTC Langmuir 2008, 24, 8620
-
(2008)
Langmuir
, vol.24
, pp. 8620
-
-
Karra, J.R.1
Walton, K.S.2
-
40
-
-
66249084513
-
2 Separation in Zeolites and Metal-Organic Frameworks
-
2 Separation in Zeolites and Metal-Organic Frameworks Langmuir 2009, 25, 5918
-
(2009)
Langmuir
, vol.25
, pp. 5918
-
-
Liu, B.1
Smit, B.2
-
41
-
-
77952835966
-
Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations
-
Haldoupis, E.; Nair, S.; Sholl, D. S. Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations J. Am. Chem. Soc. 2010, 132, 7528
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 7528
-
-
Haldoupis, E.1
Nair, S.2
Sholl, D.S.3
-
44
-
-
34247527858
-
Ab Initio Parametrized MM3 Force Field for the Metal-Organic Framework MOF-5
-
Tafipolsky, M.; Amirjalayer, S.; Schmid, R. Ab Initio Parametrized MM3 Force Field for the Metal-Organic Framework MOF-5 J. Comput. Chem. 2007, 28, 1169
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 1169
-
-
Tafipolsky, M.1
Amirjalayer, S.2
Schmid, R.3
-
45
-
-
43749100514
-
Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers
-
Greathouse, J. A.; Allendorf, M. D. Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers J. Phys. Chem. C 2008, 112, 5795
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 5795
-
-
Greathouse, J.A.1
Allendorf, M.D.2
|