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Items: 1 to 50 of 68

1.

A Microporous Co-MOF for Highly Selective CO2 Sorption in High Loadings Involving Aryl C-H···O═C═O Interactions: Combined Simulation and Breakthrough Studies.

Pal A, Chand S, Madden DG, Franz D, Ritter L, Johnson A, Space B, Curtin T, Das MC.

Inorg Chem. 2019 Aug 9. doi: 10.1021/acs.inorgchem.9b01402. [Epub ahead of print]

PMID:
31398018
2.

Molecular Sieving and Direct Visualization of CO2 in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.

Han L, Pham T, Zhuo M, Forrest KA, Suepaul S, Space B, Zaworotko MJ, Shi W, Chen Y, Cheng P, Zhang Z.

ACS Appl Mater Interfaces. 2019 Jul 3;11(26):23192-23197. doi: 10.1021/acsami.9b04619. Epub 2019 Jun 20.

PMID:
31184107
3.

A Metal-Organic Framework Based Methane Nano-trap for the Capture of Coal-Mine Methane.

Niu Z, Cui X, Pham T, Lan PC, Xing H, Forrest KA, Wojtas L, Space B, Ma S.

Angew Chem Int Ed Engl. 2019 Jul 22;58(30):10138-10141. doi: 10.1002/anie.201904507. Epub 2019 May 22.

PMID:
31115966
4.

Robust Microporous Metal-Organic Frameworks for Highly Efficient and Simultaneous Removal of Propyne and Propadiene from Propylene.

Peng YL, He C, Pham T, Wang T, Li P, Krishna R, Forrest KA, Hogan A, Suepaul S, Space B, Fang M, Chen Y, Zaworotko MJ, Li J, Li L, Zhang Z, Cheng P, Chen B.

Angew Chem Int Ed Engl. 2019 Jul 22;58(30):10209-10214. doi: 10.1002/anie.201904312. Epub 2019 Jun 24.

PMID:
31059186
5.

Highly selective CO2 removal for one-step liquefied natural gas processing by physisorbents.

Madden DG, O'Nolan D, Chen KJ, Hua C, Kumar A, Pham T, Forrest KA, Space B, Perry JJ, Khraisheh M, Zaworotko MJ.

Chem Commun (Camb). 2019 Mar 12;55(22):3219-3222. doi: 10.1039/c9cc00626e.

PMID:
30806425
6.

Robust Ultramicroporous Metal-Organic Frameworks with Benchmark Affinity for Acetylene.

Peng YL, Pham T, Li P, Wang T, Chen Y, Chen KJ, Forrest KA, Space B, Cheng P, Zaworotko MJ, Zhang Z.

Angew Chem Int Ed Engl. 2018 Aug 20;57(34):10971-10975. doi: 10.1002/anie.201806732. Epub 2018 Jul 20.

PMID:
29972279
7.

Readily accessible shape-memory effect in a porous interpenetrated coordination network.

Shivanna M, Yang QY, Bajpai A, Sen S, Hosono N, Kusaka S, Pham T, Forrest KA, Space B, Kitagawa S, Zaworotko MJ.

Sci Adv. 2018 Apr 27;4(4):eaaq1636. doi: 10.1126/sciadv.aaq1636. eCollection 2018 Apr.

8.

Reversible Switching between Highly Porous and Nonporous Phases of an Interpenetrated Diamondoid Coordination Network That Exhibits Gate-Opening at Methane Storage Pressures.

Yang QY, Lama P, Sen S, Lusi M, Chen KJ, Gao WY, Shivanna M, Pham T, Hosono N, Kusaka S, Perry JJ 4th, Ma S, Space B, Barbour LJ, Kitagawa S, Zaworotko MJ.

Angew Chem Int Ed Engl. 2018 May 14;57(20):5684-5689. doi: 10.1002/anie.201800820. Epub 2018 Apr 17.

PMID:
29575465
9.

Impact of partial interpenetration in a hybrid ultramicroporous material on C2H2/C2H4 separation performance.

O'Nolan D, Madden DG, Kumar A, Chen KJ, Pham T, Forrest KA, Patyk-Kazmierczak E, Yang QY, Murray CA, Tang CC, Space B, Zaworotko MJ.

Chem Commun (Camb). 2018 Apr 3;54(28):3488-3491. doi: 10.1039/C8CC01627E.

PMID:
29561019
10.

A Stable Metal-Organic Framework Featuring a Local Buffer Environment for Carbon Dioxide Fixation.

He H, Sun Q, Gao W, Perman JA, Sun F, Zhu G, Aguila B, Forrest K, Space B, Ma S.

Angew Chem Int Ed Engl. 2018 Apr 16;57(17):4657-4662. doi: 10.1002/anie.201801122. Epub 2018 Mar 15.

PMID:
29457972
11.

Efficient CO2 Removal for Ultra-Pure CO Production by Two Hybrid Ultramicroporous Materials.

Chen KJ, Yang QY, Sen S, Madden DG, Kumar A, Pham T, Forrest KA, Hosono N, Space B, Kitagawa S, Zaworotko MJ.

Angew Chem Int Ed Engl. 2018 Mar 19;57(13):3332-3336. doi: 10.1002/anie.201706090. Epub 2018 Feb 22.

PMID:
29377460
12.

Simulations of hydrogen, carbon dioxide, and small hydrocarbon sorption in a nitrogen-rich rht-metal-organic framework.

Franz DM, Dyott ZE, Forrest KA, Hogan A, Pham T, Space B.

Phys Chem Chem Phys. 2018 Jan 17;20(3):1761-1777. doi: 10.1039/c7cp06885a.

PMID:
29270586
13.

Investigating gas sorption in an rht-metal-organic framework with 1,2,3-triazole groups.

Forrest KA, Pham T, Space B.

Phys Chem Chem Phys. 2017 Nov 8;19(43):29204-29221. doi: 10.1039/c7cp06128e.

PMID:
29067398
14.

The effect of centred versus offset interpenetration on C2H2 sorption in hybrid ultramicroporous materials.

Bajpai A, O'Nolan D, Madden DG, Chen KJ, Pham T, Kumar A, Lusi M, Perry JJ, Space B, Zaworotko MJ.

Chem Commun (Camb). 2017 Oct 19;53(84):11592-11595. doi: 10.1039/c7cc05882a.

PMID:
28990607
15.

Fine Tuning of MOF-505 Analogues To Reduce Low-Pressure Methane Uptake and Enhance Methane Working Capacity.

Zhang M, Zhou W, Pham T, Forrest KA, Liu W, He Y, Wu H, Yildirim T, Chen B, Space B, Pan Y, Zaworotko MJ, Bai J.

Angew Chem Int Ed Engl. 2017 Sep 11;56(38):11426-11430. doi: 10.1002/anie.201704974. Epub 2017 Aug 9.

PMID:
28707307
16.

Predictive models of gas sorption in a metal-organic framework with open-metal sites and small pore sizes.

Pham T, Forrest KA, Franz DM, Guo Z, Chen B, Space B.

Phys Chem Chem Phys. 2017 Jul 19;19(28):18587-18602. doi: 10.1039/c7cp02767b.

PMID:
28686253
17.

The rotational dynamics of H2 adsorbed in covalent organic frameworks.

Pham T, Forrest KA, Mostrom M, Hunt JR, Furukawa H, Eckert J, Space B.

Phys Chem Chem Phys. 2017 May 24;19(20):13075-13082. doi: 10.1039/c7cp00924k.

PMID:
28484768
18.

Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.

Elsaidi SK, Mohamed MH, Simon CM, Braun E, Pham T, Forrest KA, Xu W, Banerjee D, Space B, Zaworotko MJ, Thallapally PK.

Chem Sci. 2017 Mar 1;8(3):2373-2380. doi: 10.1039/c6sc05012c. Epub 2016 Dec 19.

19.

Highly Selective Separation of C2H2 from CO2 by a New Dichromate-Based Hybrid Ultramicroporous Material.

Scott HS, Shivanna M, Bajpai A, Madden DG, Chen KJ, Pham T, Forrest KA, Hogan A, Space B, Perry Iv JJ, Zaworotko MJ.

ACS Appl Mater Interfaces. 2017 Oct 4;9(39):33395-33400. doi: 10.1021/acsami.6b15250. Epub 2017 Jan 27.

PMID:
28128918
20.

Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds.

Bajpai A, Scott HS, Pham T, Chen KJ, Space B, Lusi M, Perry ML, Zaworotko MJ.

IUCrJ. 2016 Oct 18;3(Pt 6):430-439. eCollection 2016 Nov 1.

21.

Theoretical Investigations of CO2 and H2 Sorption in Robust Molecular Porous Materials.

Pham T, Forrest KA, Chen KJ, Kumar A, Zaworotko MJ, Space B.

Langmuir. 2016 Nov 8;32(44):11492-11505. Epub 2016 Oct 24.

PMID:
27749073
22.

Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers.

Scott HS, Ogiwara N, Chen KJ, Madden DG, Pham T, Forrest K, Space B, Horike S, Perry Iv JJ, Kitagawa S, Zaworotko MJ.

Chem Sci. 2016 Aug 1;7(8):5470-5476. doi: 10.1039/c6sc01385f. Epub 2016 May 10.

23.

Tuning Pore Size in Square-Lattice Coordination Networks for Size-Selective Sieving of CO2.

Chen KJ, Madden DG, Pham T, Forrest KA, Kumar A, Yang QY, Xue W, Space B, Perry JJ 4th, Zhang JP, Chen XM, Zaworotko MJ.

Angew Chem Int Ed Engl. 2016 Aug 22;55(35):10268-72. doi: 10.1002/anie.201603934. Epub 2016 Jul 21.

PMID:
27439315
24.

An unusual H2 sorption mechanism in PCN-14: insights from molecular simulation.

Pham T, Forrest KA, Space B.

Phys Chem Chem Phys. 2016 Aug 3;18(31):21421-30. doi: 10.1039/c6cp02650h.

PMID:
27426916
25.

Hybrid Ultra-Microporous Materials for Selective Xenon Adsorption and Separation.

Mohamed MH, Elsaidi SK, Pham T, Forrest KA, Schaef HT, Hogan A, Wojtas L, Xu W, Space B, Zaworotko MJ, Thallapally PK.

Angew Chem Int Ed Engl. 2016 Jul 11;55(29):8285-9. doi: 10.1002/anie.201602287. Epub 2016 May 30.

PMID:
27238977
26.

Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra.

Pham T, Forrest KA, Space B, Eckert J.

Phys Chem Chem Phys. 2016 Jun 29;18(26):17141-58. doi: 10.1039/c6cp01863g.

PMID:
27160665
27.

Exceptional H2 sorption characteristics in a Mg(2+)-based metal-organic framework with small pores: insights from experimental and theoretical studies.

Pham T, Forrest KA, Falcão EH, Eckert J, Space B.

Phys Chem Chem Phys. 2016 Jan 21;18(3):1786-96. doi: 10.1039/c5cp05906b. Epub 2015 Dec 17.

PMID:
26673530
28.

Correction: Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas.

Elsaidi SK, Mohamed MH, Schaef HT, Kumar A, Lusi M, Pham T, Forrest KA, Space B, Xu W, Halder GJ, Liu J, Zaworotko MJ, Thallapally PK.

Chem Commun (Camb). 2015 Dec 7;51(94):16872. doi: 10.1039/c5cc90503f. Epub 2015 Nov 4.

PMID:
26530600
29.

Theoretical Insights into the Tuning of Metal Binding Sites of Paddlewheels in rht-Metal-Organic Frameworks.

Pham T, Forrest KA, Gao WY, Ma S, Space B.

Chemphyschem. 2015 Oct 26;16(15):3170-9. doi: 10.1002/cphc.201500504. Epub 2015 Aug 25.

PMID:
26489059
30.

Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas.

Elsaidi SK, Mohamed MH, Schaef HT, Kumar A, Lusi M, Pham T, Forrest KA, Space B, Xu W, Halder GJ, Liu J, Zaworotko MJ, Thallapally PK.

Chem Commun (Camb). 2015 Nov 4;51(85):15530-3. doi: 10.1039/c5cc06577a. Epub 2015 Sep 8. Erratum in: Chem Commun (Camb). 2015 Dec 7;51(94):16872.

PMID:
26348358
31.

Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n.

Scott HS, Bajpai A, Chen KJ, Pham T, Space B, Perry JJ 4th, Zaworotko MJ.

Chem Commun (Camb). 2015 Oct 14;51(80):14832-5. doi: 10.1039/c5cc05866j.

PMID:
26307270
32.

Investigating H₂ Sorption in a Fluorinated Metal-Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering.

Forrest KA, Pham T, Georgiev PA, Pinzan F, Cioce CR, Unruh T, Eckert J, Space B.

Langmuir. 2015 Jul 7;31(26):7328-36. doi: 10.1021/acs.langmuir.5b01664. Epub 2015 Jun 24.

PMID:
26083895
33.

The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform.

Gao WY, Pham T, Forrest KA, Space B, Wojtas L, Chen YS, Ma S.

Chem Commun (Camb). 2015 Jun 14;51(47):9636-9. doi: 10.1039/c5cc02573g.

PMID:
25974064
34.

Highly selective adsorption of ethylene over ethane in a MOF featuring the combination of open metal site and π-complexation.

Zhang Y, Li B, Krishna R, Wu Z, Ma D, Shi Z, Pham T, Forrest K, Space B, Ma S.

Chem Commun (Camb). 2015 Feb 14;51(13):2714-7. doi: 10.1039/c4cc09774b.

PMID:
25575193
35.

Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface.

Green AJ, Space B.

J Phys Chem B. 2015 Jul 23;119(29):9219-24. doi: 10.1021/jp509647w. Epub 2014 Dec 4.

PMID:
25415752
36.

A high rotational barrier for physisorbed hydrogen in an fcu-metal-organic framework.

Pham T, Forrest KA, Georgiev PA, Lohstroh W, Xue DX, Hogan A, Eddaoudi M, Space B, Eckert J.

Chem Commun (Camb). 2014 Nov 25;50(91):14109-12. doi: 10.1039/c4cc05987e.

PMID:
25283496
37.

Introduction of π-complexation into porous aromatic framework for highly selective adsorption of ethylene over ethane.

Li B, Zhang Y, Krishna R, Yao K, Han Y, Wu Z, Ma D, Shi Z, Pham T, Space B, Liu J, Thallapally PK, Liu J, Chrzanowski M, Ma S.

J Am Chem Soc. 2014 Jun 18;136(24):8654-60. doi: 10.1021/ja502119z. Epub 2014 Jun 5.

PMID:
24901372
38.

Insights into an intriguing gas sorption mechanism in a polar metal-organic framework with open-metal sites and narrow channels.

Forrest KA, Pham T, McLaughlin K, Hogan A, Space B.

Chem Commun (Camb). 2014 Jul 14;50(55):7283-6. doi: 10.1039/c4cc03070b.

PMID:
24871686
39.

Theoretical investigations of CO₂ and CH₄ sorption in an interpenetrated diamondoid metal-organic material.

Pham T, Forrest KA, Tudor B, Elsaidi SK, Mohamed MH, McLaughlin K, Cioce CR, Zaworotko MJ, Space B.

Langmuir. 2014 Jun 10;30(22):6454-62. doi: 10.1021/la500967w. Epub 2014 May 29.

40.

Putting the squeeze on CH4 and CO2 through control over interpenetration in diamondoid nets.

Elsaidi SK, Mohamed MH, Wojtas L, Chanthapally A, Pham T, Space B, Vittal JJ, Zaworotko MJ.

J Am Chem Soc. 2014 Apr 2;136(13):5072-7. doi: 10.1021/ja500005k. Epub 2014 Mar 24.

PMID:
24611507
41.

Efficient calculation of many-body induced electrostatics in molecular systems.

McLaughlin K, Cioce CR, Pham T, Belof JL, Space B.

J Chem Phys. 2013 Nov 14;139(18):184112. doi: 10.1063/1.4829144.

PMID:
24320259
42.

A Polarizable and Transferable PHAST N2 Potential for Use in Materials Simulation.

Cioce CR, McLaughlin K, Belof JL, Space B.

J Chem Theory Comput. 2013 Dec 10;9(12):5550-7. doi: 10.1021/ct400526a. Epub 2013 Nov 22.

PMID:
26592288
43.

A Polarizable and Transferable PHAST CO2 Potential for Materials Simulation.

Mullen AL, Pham T, Forrest KA, Cioce CR, McLaughlin K, Space B.

J Chem Theory Comput. 2013 Dec 10;9(12):5421-9. doi: 10.1021/ct400549q. Epub 2013 Nov 22.

PMID:
26592280
44.

Pillar substitution modulates CO2 affinity in "mmo" topology networks.

Mohamed MH, Elsaidi SK, Pham T, Forrest KA, Tudor B, Wojtas L, Space B, Zaworotko MJ.

Chem Commun (Camb). 2013 Oct 28;49(84):9809-11. doi: 10.1039/c3cc44745f.

PMID:
24029926
45.

A robust molecular porous material with high CO2 uptake and selectivity.

Nugent PS, Rhodus VL, Pham T, Forrest K, Wojtas L, Space B, Zaworotko MJ.

J Am Chem Soc. 2013 Jul 31;135(30):10950-3. doi: 10.1021/ja4054948. Epub 2013 Jul 22.

PMID:
23859072
46.

Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation.

Nugent P, Belmabkhout Y, Burd SD, Cairns AJ, Luebke R, Forrest K, Pham T, Ma S, Space B, Wojtas L, Eddaoudi M, Zaworotko MJ.

Nature. 2013 Mar 7;495(7439):80-4. doi: 10.1038/nature11893. Epub 2013 Feb 27.

PMID:
23446349
47.

Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution.

Nugent P, Rhodus V, Pham T, Tudor B, Forrest K, Wojtas L, Space B, Zaworotko M.

Chem Commun (Camb). 2013 Feb 25;49(16):1606-8. doi: 10.1039/c3cc37695h.

PMID:
23340547
48.

Highly selective CO2 uptake in uninodal 6-connected "mmo" nets based upon MO4(2-) (M = Cr, Mo) pillars.

Mohamed MH, Elsaidi SK, Wojtas L, Pham T, Forrest KA, Tudor B, Space B, Zaworotko MJ.

J Am Chem Soc. 2012 Dec 5;134(48):19556-9. doi: 10.1021/ja309452y. Epub 2012 Nov 21.

PMID:
23170983
49.

Hydrogen adsorbed in a metal organic framework-5: coupled translation-rotation eigenstates from quantum five-dimensional calculations.

Matanović I, Belof JL, Space B, Sillar K, Sauer J, Eckert J, Bačić Z.

J Chem Phys. 2012 Jul 7;137(1):014701. doi: 10.1063/1.4730906.

PMID:
22779674
50.

A molecular H2 potential for heterogeneous simulations including polarization and many-body van der Waals interactions.

McLaughlin K, Cioce CR, Belof JL, Space B.

J Chem Phys. 2012 May 21;136(19):194302. doi: 10.1063/1.4717705. Erratum in: J Chem Phys. 2012 Jul 14;137(2):029901. Space, Brian B [corrected to Space, Brian]. J Chem Phys. 2012 Sep 28;137(12):129901.

PMID:
22612090

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