-
1
-
-
34249662549
-
Metal-organic frameworks-new materials for hydrogen storage
-
Isaeva VI and Kustov LM, Metal-organic frameworks-new materials for hydrogen storage. Russ J Gen Chem 77:721-739 (2007).
-
(2007)
Russ J Gen Chem
, vol.77
, pp. 721-739
-
-
Isaeva, V.I.1
Kustov, L.M.2
-
2
-
-
33645661036
-
Metal-organic frameworks-prospective industrial applications
-
Mueller U, Schubert M, Teich F, Puetter H, Schierle-Arndt K and Pastre J, Metal-organic frameworks-prospective industrial applications. J Mater Chem 16:626-636 (2006).
-
(2006)
J Mater Chem
, vol.16
, pp. 626-636
-
-
Mueller, U.1
Schubert, M.2
Teich, F.3
Puetter, H.4
Schierle-Arndt, K.5
Pastre, J.6
-
3
-
-
3242693573
-
Metal-organic frameworks: a new class of porous materials
-
Rowsell JLC and Yaghi OM, Metal-organic frameworks: a new class of porous materials. Micropor Mesopor Mater 73:3-14 (2004).
-
(2004)
Micropor Mesopor Mater
, vol.73
, pp. 3-14
-
-
Rowsell, J.L.C.1
Yaghi, O.M.2
-
4
-
-
0038128307
-
Reticular synthesis and the design of new materials
-
Yaghi OM, O'Keeffe M, Ockwig NW, Chae HK, Eddaoudi M and Kim J, Reticular synthesis and the design of new materials. Nature 423:705-714 (2003).
-
(2003)
Nature
, vol.423
, pp. 705-714
-
-
Yaghi, O.M.1
O'Keeffe, M.2
Ockwig, N.W.3
Chae, H.K.4
Eddaoudi, M.5
Kim, J.6
-
5
-
-
84885109870
-
Preparation of novel metal-carboxylate system MOF membrane for gas separation
-
Huang K, Liu S, Li Q and Jin W, Preparation of novel metal-carboxylate system MOF membrane for gas separation. Sep Purif Technol 119:94-101 (2013).
-
(2013)
Sep Purif Technol
, vol.119
, pp. 94-101
-
-
Huang, K.1
Liu, S.2
Li, Q.3
Jin, W.4
-
6
-
-
57749180640
-
Synthesis of continuous MOF-5 membranes on porous α-alumina substrates
-
Liu Y, Ng Z, Khan EA, Jeong H-K, Ching C-B and Lai Z, Synthesis of continuous MOF-5 membranes on porous α-alumina substrates. Micropor Mesopor Mater 118:296-301 (2009).
-
(2009)
Micropor Mesopor Mater
, vol.118
, pp. 296-301
-
-
Liu, Y.1
Ng, Z.2
Khan, E.A.3
Jeong, H.-K.4
Ching, C.-B.5
Lai, Z.6
-
8
-
-
79960412252
-
0.5 membranes and composites: a molecular simulation study
-
0.5 membranes and composites: a molecular simulation study. J Phys Chem C 115:13637-13644 (2011).
-
(2011)
J Phys Chem C
, vol.115
, pp. 13637-13644
-
-
Erucar, I.1
Keskin, S.2
-
9
-
-
84896116481
-
The effect of pore shape on hydrocarbon selectivity on UiO-66(Zr), HKUST-1 and MIL-125(Ti) metal organic frameworks: insights from molecular simulations and chromatography
-
Ramsahye NA, Trens P, Shepherd C, Gonzalez P, Trung TK, Ragon F and Serre C, The effect of pore shape on hydrocarbon selectivity on UiO-66(Zr), HKUST-1 and MIL-125(Ti) metal organic frameworks: insights from molecular simulations and chromatography. Micropor Mesopor Mater 189:222-231 (2014).
-
(2014)
Micropor Mesopor Mater
, vol.189
, pp. 222-231
-
-
Ramsahye, N.A.1
Trens, P.2
Shepherd, C.3
Gonzalez, P.4
Trung, T.K.5
Ragon, F.6
Serre, C.7
-
10
-
-
84883792661
-
Simulation of hydrogen storage tank packed with metal-organic framework
-
Xiao J, Hu M, Bénard P and Chahine R, Simulation of hydrogen storage tank packed with metal-organic framework. Int J Hydrogen Energy 38:13000-13010 (2013).
-
(2013)
Int J Hydrogen Energy
, vol.38
, pp. 13000-13010
-
-
Xiao, J.1
Hu, M.2
Bénard, P.3
Chahine, R.4
-
11
-
-
34547480314
-
Zeolite A imidazolate frameworks
-
Hayashi H, Cote AP, Furukawa H, O'Keeffe M and Yaghi OM, Zeolite A imidazolate frameworks. Nat Mater 6:501-506 (2007).
-
(2007)
Nat Mater
, vol.6
, pp. 501-506
-
-
Hayashi, H.1
Cote, A.P.2
Furukawa, H.3
O'Keeffe, M.4
Yaghi, O.M.5
-
12
-
-
75749120220
-
2 on zeolitic imidazolate frameworks: experiments and simulations
-
2 on zeolitic imidazolate frameworks: experiments and simulations. Chem Eur J 16:1560-1571 (2010).
-
(2010)
Chem Eur J
, vol.16
, pp. 1560-1571
-
-
Pérez-Pellitero, J.1
Amrouche, H.2
Siperstein, F.R.3
Pirngruber, G.4
Nieto-Draghi, C.5
Chaplais, G.6
Simon-Masseron, A.7
Bazer-Bachi, D.8
Peralta, D.9
Bats, N.10
-
13
-
-
52449121242
-
Crystals as molecules: postsynthesis covalent functionalization of zeolitic imidazolate frameworks
-
Morris W, Doonan CJ, Furukawa H, Banerjee R and Yaghi OM, Crystals as molecules: postsynthesis covalent functionalization of zeolitic imidazolate frameworks. J Am Chem Soc 130:12626-12627 (2008).
-
(2008)
J Am Chem Soc
, vol.130
, pp. 12626-12627
-
-
Morris, W.1
Doonan, C.J.2
Furukawa, H.3
Banerjee, R.4
Yaghi, O.M.5
-
14
-
-
75449104346
-
Synthesis, structure, and carbon dioxide capture properties of zeolitic imidazolate frameworks
-
Phan A, Doonan CJ, Uribe-Romo FJ, Knobler CB, O'Keeffe M and Yaghi OM, Synthesis, structure, and carbon dioxide capture properties of zeolitic imidazolate frameworks. Accounts Chem Res 43:58-67 (2009).
-
(2009)
Accounts Chem Res
, vol.43
, pp. 58-67
-
-
Phan, A.1
Doonan, C.J.2
Uribe-Romo, F.J.3
Knobler, C.B.4
O'Keeffe, M.5
Yaghi, O.M.6
-
15
-
-
84880627710
-
Computational screening of porous carbons, zeolites, and metal organic frameworks for desulfurization and decarburization of biogas, natural gas, and flue gas
-
Peng X and Cao D, Computational screening of porous carbons, zeolites, and metal organic frameworks for desulfurization and decarburization of biogas, natural gas, and flue gas. AIChE J 59:2928-2942 (2013).
-
(2013)
AIChE J
, vol.59
, pp. 2928-2942
-
-
Peng, X.1
Cao, D.2
-
17
-
-
65249181545
-
Understanding the adsorption and diffusion of carbon dioxide in zeolitic imidazolate frameworks: a molecular simulation study
-
Liu D, Zheng C, Yang Q and Zhong C, Understanding the adsorption and diffusion of carbon dioxide in zeolitic imidazolate frameworks: a molecular simulation study. J Phys Chem C C 113:5004-5009 (2009).
-
(2009)
J Phys Chem C C
, vol.113
, pp. 5004-5009
-
-
Liu, D.1
Zheng, C.2
Yang, Q.3
Zhong, C.4
-
18
-
-
0042041206
-
UFF a full periodic table force field for molecular mechanics and molecular dynamics simulations
-
Rappe AK, Casewit CJ, Colwell KS, Goddard WA and Skiff WM, UFF a full periodic table force field for molecular mechanics and molecular dynamics simulations. J Am Chem Soc 114:10024-10035 (1992).
-
(1992)
J Am Chem Soc
, vol.114
, pp. 10024-10035
-
-
Rappe, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard, W.A.4
Skiff, W.M.5
-
20
-
-
79955429074
-
Effect of pore topology and accessibility on gas adsorption capacity in zeolitic-imidazolate frameworks: bringing molecular simulation close to experiment
-
Babarao R, Dai S and Jiang D-E, Effect of pore topology and accessibility on gas adsorption capacity in zeolitic-imidazolate frameworks: bringing molecular simulation close to experiment. J Phys Chem C 115:8126-8135 (2011).
-
(2011)
J Phys Chem C
, vol.115
, pp. 8126-8135
-
-
Babarao, R.1
Dai, S.2
Jiang, D.-E.3
-
21
-
-
9144240095
-
Dreiding: a generic force field for molecular simulations
-
Mayo SL, Olafson BD and Goddard WA, Dreiding: a generic force field for molecular simulations. J Phys Chem 94:8897-8909 (1990).
-
(1990)
J Phys Chem
, vol.94
, pp. 8897-8909
-
-
Mayo, S.L.1
Olafson, B.D.2
Goddard, W.A.3
-
22
-
-
77249094683
-
Grand-canonical monte carlo and molecular-dynamics simulations of carbon-dioxide and carbon-monoxide adsorption in zeolitic imidazolate framework materials
-
Sirjoosingh A, Alavi S and Woo TK, Grand-canonical monte carlo and molecular-dynamics simulations of carbon-dioxide and carbon-monoxide adsorption in zeolitic imidazolate framework materials. J Phys Chem C 114:2171-2178 (2010).
-
(2010)
J Phys Chem C
, vol.114
, pp. 2171-2178
-
-
Sirjoosingh, A.1
Alavi, S.2
Woo, T.K.3
-
23
-
-
77956150827
-
2 in the zeolitic imidazolate frameworks ZIF-68 and ZIF-69
-
2 in the zeolitic imidazolate frameworks ZIF-68 and ZIF-69. J Phys Chem C 114:13501-13508 (2010).
-
(2010)
J Phys Chem C
, vol.114
, pp. 13501-13508
-
-
Hou, X.-J.1
Li, H.2
-
24
-
-
84888589877
-
4 gas adsorption in Zeolitic imidazolate framework-95 and -100: Ab initio based grand canonical Monte Carlo simulations
-
4 gas adsorption in Zeolitic imidazolate framework-95 and -100: Ab initio based grand canonical Monte Carlo simulations. J Phys Chem C 117:24407-24416 (2013).
-
(2013)
J Phys Chem C
, vol.117
, pp. 24407-24416
-
-
Prakash, M.1
Sakhavand, N.2
Shahsavari, R.3
-
25
-
-
81255209247
-
4 adsorption and separation in ZIF-78 and ZIF-79
-
4 adsorption and separation in ZIF-78 and ZIF-79. Molecular Simulat 37:1131-1142 (2011).
-
(2011)
Molecular Simulat
, vol.37
, pp. 1131-1142
-
-
Li, B.1
Wei, S.2
Chen, L.3
-
26
-
-
70350152558
-
Adsorption and diffusion of light gases in ZIF-68 and ZIF70: a simulation study
-
Rankin RB, Liu J, Kulkarni AD and Johnson JK, Adsorption and diffusion of light gases in ZIF-68 and ZIF70: a simulation study. J Phys Chem C 113:16906-16914 (2009).
-
(2009)
J Phys Chem C
, vol.113
, pp. 16906-16914
-
-
Rankin, R.B.1
Liu, J.2
Kulkarni, A.D.3
Johnson, J.K.4
-
27
-
-
84864247741
-
Understanding the potential of zeolite imidazolate framework membranes in gas separations using atomically detailed calculations
-
Atci E and Keskin S, Understanding the potential of zeolite imidazolate framework membranes in gas separations using atomically detailed calculations. J Phys Chem C 116:15525-15537 (2012).
-
(2012)
J Phys Chem C
, vol.116
, pp. 15525-15537
-
-
Atci, E.1
Keskin, S.2
-
29
-
-
35748936809
-
Calculating geometric surface areas as a characterization tool for metal-organic frameworks
-
Düren T, Millange F, Férey G, Walton KS and Snurr RQ, Calculating geometric surface areas as a characterization tool for metal-organic frameworks. J Phys Chem C 111:15350-15356 (2007).
-
(2007)
J Phys Chem C
, vol.111
, pp. 15350-15356
-
-
Düren, T.1
Millange, F.2
Férey, G.3
Walton, K.S.4
Snurr, R.Q.5
-
30
-
-
80051926440
-
2 separation
-
2 separation. T J Phys Chem C 115:16425-16432 (2011).
-
(2011)
T J Phys Chem C
, vol.115
, pp. 16425-16432
-
-
Amrouche, H.1
Aguado, S.2
Pérez-Pellitero, J.3
Cl, C.4
Siperstein, F.5
Farrusseng, D.6
Bats, N.7
Nieto-Draghi, C.8
-
31
-
-
84857410383
-
Atomically detailed models for transport of gas mixtures in ZIF membranes and ZIF/polymer composite membranes
-
Atci E and Keskin S, Atomically detailed models for transport of gas mixtures in ZIF membranes and ZIF/polymer composite membranes. Ind Eng Chem Res 51:3091-3100 (2012).
-
(2012)
Ind Eng Chem Res
, vol.51
, pp. 3091-3100
-
-
Atci, E.1
Keskin, S.2
-
33
-
-
84872818581
-
Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments
-
Pantatosaki E, Jobic H, Kolokolov DI, Karmakar S, Biniwale R and Papadopoulos GK, Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments. J Chem Phys 138:034706-034710 (2013).
-
(2013)
J Chem Phys
, vol.138
, pp. 034706-034710
-
-
Pantatosaki, E.1
Jobic, H.2
Kolokolov, D.I.3
Karmakar, S.4
Biniwale, R.5
Papadopoulos, G.K.6
-
34
-
-
84878089724
-
Screening metal-organic frameworks for selective noble gas adsorption in air: Effect of pore size and framework topology
-
Parkes MV, Staiger CL, Perry Iv JJ, Allendorf MD and Greathouse JA, Screening metal-organic frameworks for selective noble gas adsorption in air: Effect of pore size and framework topology. Phys Chem Chem Phys 15:9093-9106 (2013).
-
(2013)
Phys Chem Chem Phys
, vol.15
, pp. 9093-9106
-
-
Parkes, M.V.1
Staiger, C.L.2
Perry Iv, J.J.3
Allendorf, M.D.4
Greathouse, J.A.5
-
35
-
-
4344668132
-
United atom force field for alkanes in nanoporous materials
-
Dubbeldam D, Calero S, Vlugt TJH, Krishna R, Maesen TLM and Smit B, United atom force field for alkanes in nanoporous materials. J Phys Chem B 108:12301-12313 (2004).
-
(2004)
J Phys Chem B
, vol.108
, pp. 12301-12313
-
-
Dubbeldam, D.1
Calero, S.2
Vlugt, T.J.H.3
Krishna, R.4
Maesen, T.L.M.5
Smit, B.6
-
36
-
-
36449001823
-
Path integral simulations of mixed Para-D2 and Ortho-D2 clusters: the orientational effects
-
Buch V, Path integral simulations of mixed Para-D2 and Ortho-D2 clusters: the orientational effects. J Chem Phys 100:7610-7629 (1994).
-
(1994)
J Chem Phys
, vol.100
, pp. 7610-7629
-
-
Buch, V.1
-
37
-
-
0031275968
-
2 on silicalite and NaZSM-5
-
2 on silicalite and NaZSM-5. Appl Surf Sci 120:81-84 (1997).
-
(1997)
Appl Surf Sci
, vol.120
, pp. 81-84
-
-
Hirotani, A.1
Mizukami, K.2
Miura, R.3
Takaba, H.4
Miya, T.5
Fahmi, A.6
Stirling, A.7
Kubo, M.8
Miyamoto, A.9
-
38
-
-
84866426251
-
2 separation: a fully atomistic simulation study
-
2 separation: a fully atomistic simulation study. J Phys Chem C 116:19268-19277 (2012).
-
(2012)
J Phys Chem C
, vol.116
, pp. 19268-19277
-
-
Zhang, L.1
Hu, Z.2
Jiang, J.3
-
39
-
-
84863147291
-
4 in zeolite-like metal-organic frameworks with different extra-framework cations: a molecular simulation study
-
4 in zeolite-like metal-organic frameworks with different extra-framework cations: a molecular simulation study. Molecular Simulat 38:72-83 (2011).
-
(2011)
Molecular Simulat
, vol.38
, pp. 72-83
-
-
He, P.1
Liu, H.2
Li, Y.3
Lei, Z.4
Huang, S.5
Wang, P.6
Tian, H.7
-
41
-
-
0035389955
-
Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen
-
Potoff JJ and Siepmann JI, Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen. AIChE J 47:1676-1682 (2001).
-
(2001)
AIChE J
, vol.47
, pp. 1676-1682
-
-
Potoff, J.J.1
Siepmann, J.I.2
-
42
-
-
84856000753
-
2 mixtures in covalent organic frameworks: molecular simulations and theoretical predictions
-
2 mixtures in covalent organic frameworks: molecular simulations and theoretical predictions. J Phys Chem C 116:1772-1779 (2011).
-
(2011)
J Phys Chem C
, vol.116
, pp. 1772-1779
-
-
Keskin, S.1
-
43
-
-
79953747995
-
2 mixtures in a bio-mof material from molecular simulations
-
2 mixtures in a bio-mof material from molecular simulations. J Phys Chem C 115:6833-6840 (2011).
-
(2011)
J Phys Chem C
, vol.115
, pp. 6833-6840
-
-
Atci, E.1
Erucar, I.2
Keskin, S.3
-
44
-
-
82455219362
-
Development and evaluation of porous materials for carbon dioxide separation and capture
-
Bae Y-S and Snurr RQ, Development and evaluation of porous materials for carbon dioxide separation and capture. Angew Chem Int Ed 50:11586-11596 (2011).
-
(2011)
Angew Chem Int Ed
, vol.50
, pp. 11586-11596
-
-
Bae, Y.-S.1
Snurr, R.Q.2
-
45
-
-
79958032450
-
In silico screening of metal-organic frameworks in separation applications
-
Krishna R and van Baten JM, In silico screening of metal-organic frameworks in separation applications. Phys Chem Chem Phys 13:10593-10616 (2011).
-
(2011)
Phys Chem Chem Phys
, vol.13
, pp. 10593-10616
-
-
Krishna, R.1
van Baten, J.M.2
-
46
-
-
70349925710
-
Efficient methods for screening of metal organic framework membranes for gas separations using atomically detailed models
-
Keskin S and Sholl DS, Efficient methods for screening of metal organic framework membranes for gas separations using atomically detailed models. Langmuir 25:11786-11795 (2009).
-
(2009)
Langmuir
, vol.25
, pp. 11786-11795
-
-
Keskin, S.1
Sholl, D.S.2
-
47
-
-
0036012759
-
Self-diffusivities in multicomponent mixtures in zeolites
-
Krishna R and Paschek D, Self-diffusivities in multicomponent mixtures in zeolites. Phys Chem Chem Phys 4:1891-1898 (2002).
-
(2002)
Phys Chem Chem Phys
, vol.4
, pp. 1891-1898
-
-
Krishna, R.1
Paschek, D.2
-
48
-
-
67749142088
-
Control of pore size and functionality in isoreticular zeolitic imidazolate frameworks and their carbon dioxide selective capture properties
-
Banerjee R, Furukawa H, Britt D, Knobler C, O'Keeffe M and Yaghi OM, Control of pore size and functionality in isoreticular zeolitic imidazolate frameworks and their carbon dioxide selective capture properties. J Am Chem Soc 131:3875-3877 (2009).
-
(2009)
J Am Chem Soc
, vol.131
, pp. 3875-3877
-
-
Banerjee, R.1
Furukawa, H.2
Britt, D.3
Knobler, C.4
O'Keeffe, M.5
Yaghi, O.M.6
-
49
-
-
84890323102
-
Predicting gas separation performances of porous coordination networks using atomistic simulations
-
Ozturk TN and Keskin S, Predicting gas separation performances of porous coordination networks using atomistic simulations. Ind Eng Chem Res 52:17627-17639 (2013).
-
(2013)
Ind Eng Chem Res
, vol.52
, pp. 17627-17639
-
-
Ozturk, T.N.1
Keskin, S.2
-
50
-
-
84874832157
-
2 selectivity of an amine-functionalized metal organic framework in adsorption-based and membrane-based gas separations
-
2 selectivity of an amine-functionalized metal organic framework in adsorption-based and membrane-based gas separations. Ind Eng Chem Res 52:3462-3472 (2013).
-
(2013)
Ind Eng Chem Res
, vol.52
, pp. 3462-3472
-
-
Erucar, I.1
Keskin, S.2
-
52
-
-
84884186936
-
2 separation
-
2 separation. J Phys Chem C 117:18434-18440 (2013).
-
(2013)
J Phys Chem C
, vol.117
, pp. 18434-18440
-
-
Tzialla, O.1
Veziri, C.2
Papatryfon, X.3
Beltsios, K.G.4
Labropoulos, A.5
Iliev, B.6
Adamova, G.7
Schubert, T.J.S.8
Kroon, M.C.9
Francisco, M.10
Zubeir, L.F.11
Romanos, G.E.12
Karanikolos, G.N.13
-
53
-
-
84937811713
-
-
Material Studio, 3.0v. Accelrys Inc. San Diego,CA
-
Accelrys Inc., Material Studio, 3.0v. Accelrys Inc. San Diego, CA (2003).
-
(2003)
-
-
-
54
-
-
84986513567
-
Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
-
Breneman CM and Wiberg KB, Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis. J Comput Chem 11:361-373 (1990).
-
(1990)
J Comput Chem
, vol.11
, pp. 361-373
-
-
Breneman, C.M.1
Wiberg, K.B.2
-
55
-
-
77949862484
-
A general approach for estimating framework charges in metal-organic frameworks
-
Xu Q and Zhong C, A general approach for estimating framework charges in metal-organic frameworks. J Phys Chem C 114:5035-5042 (2010).
-
(2010)
J Phys Chem C
, vol.114
, pp. 5035-5042
-
-
Xu, Q.1
Zhong, C.2
|