Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 50 of 99

1.

The effect of co-adsorbed solvent molecules on H2 binding to metal alkoxides.

Colón YJ, Snurr RQ.

Phys Chem Chem Phys. 2019 May 8;21(18):9218-9224. doi: 10.1039/c9cp00754g.

PMID:
30994123
2.

Investigation of the Hydrophobic Nature of Metal Oxide Surfaces Created by Atomic Layer Deposition.

Bae J, Samek IA, Stair PC, Snurr RQ.

Langmuir. 2019 Apr 30;35(17):5762-5769. doi: 10.1021/acs.langmuir.9b00577. Epub 2019 Apr 22.

PMID:
30970206
3.

Screening for Improved Nerve Agent Simulants and Insights into Organophosphate Hydrolysis Reactions from DFT and QSAR Modeling.

Mendonca ML, Snurr RQ.

Chemistry. 2019 Mar 28. doi: 10.1002/chem.201900655. [Epub ahead of print]

PMID:
30924220
4.

Identifying promising metal-organic frameworks for heterogeneous catalysis via high-throughput periodic density functional theory.

Rosen AS, Notestein JM, Snurr RQ.

J Comput Chem. 2019 May 5;40(12):1305-1318. doi: 10.1002/jcc.25787. Epub 2019 Feb 4.

PMID:
30715733
5.

Zirconium-Based Metal-Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin.

Kato S, Otake KI, Chen H, Akpinar I, Buru CT, Islamoglu T, Snurr RQ, Farha OK.

J Am Chem Soc. 2019 Feb 13;141(6):2568-2576. doi: 10.1021/jacs.8b12525. Epub 2019 Feb 1.

PMID:
30707010
6.

Proton Conduction in Tröger's Base-Linked Poly(crown ether)s.

Patel HA, Selberg J, Salah D, Chen H, Liao Y, Mohan Nalluri SK, Farha OK, Snurr RQ, Rolandi M, Stoddart JF.

ACS Appl Mater Interfaces. 2018 Aug 1;10(30):25303-25310. doi: 10.1021/acsami.8b05532. Epub 2018 Jul 18.

PMID:
29869495
7.

Computer-aided discovery of a metal-organic framework with superior oxygen uptake.

Moghadam PZ, Islamoglu T, Goswami S, Exley J, Fantham M, Kaminski CF, Snurr RQ, Farha OK, Fairen-Jimenez D.

Nat Commun. 2018 Apr 11;9(1):1378. doi: 10.1038/s41467-018-03892-8.

8.

Anomaly in the Chain Length Dependence of n-Alkane Diffusion in ZIF-4 Metal-Organic Frameworks.

Hwang S, Gopalan A, Hovestadt M, Piepenbreier F, Chmelik C, Hartmann M, Snurr RQ, Kärger J.

Molecules. 2018 Mar 15;23(3). pii: E668. doi: 10.3390/molecules23030668.

9.

Tunable Crystallinity and Charge Transfer in Two-Dimensional G-Quadruplex Organic Frameworks.

Wu YL, Bobbitt NS, Logsdon JL, Powers-Riggs NE, Nelson JN, Liu X, Wang TC, Snurr RQ, Hupp JT, Farha OK, Hersam MC, Wasielewski MR.

Angew Chem Int Ed Engl. 2018 Apr 3;57(15):3985-3989. doi: 10.1002/anie.201800230. Epub 2018 Mar 7.

PMID:
29425405
10.

Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal-Organic Frameworks for Adsorption Applications.

Argueta E, Shaji J, Gopalan A, Liao P, Snurr RQ, Gómez-Gualdrón DA.

J Chem Theory Comput. 2018 Jan 9;14(1):365-376. doi: 10.1021/acs.jctc.7b00841. Epub 2017 Dec 29.

PMID:
29227644
11.

High-Throughput Computational Screening of Multivariate Metal-Organic Frameworks (MTV-MOFs) for CO2 Capture.

Li S, Chung YG, Simon CM, Snurr RQ.

J Phys Chem Lett. 2017 Dec 21;8(24):6135-6141. doi: 10.1021/acs.jpclett.7b02700. Epub 2017 Dec 8.

PMID:
29206043
12.

Computational screening of functional groups for capture of toxic industrial chemicals in porous materials.

Kim KC, Fairen-Jimenez D, Snurr RQ.

Phys Chem Chem Phys. 2017 Dec 6;19(47):31766-31772. doi: 10.1039/c7cp06521c.

PMID:
29168516
13.

Adsorption and molecular siting of CO2, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation.

Moghadam PZ, Ivy JF, Arvapally RK, Dos Santos AM, Pearson JC, Zhang L, Tylianakis E, Ghosh P, Oswald IWH, Kaipa U, Wang X, Wilson AK, Snurr RQ, Omary MA.

Chem Sci. 2017 May 1;8(5):3989-4000. doi: 10.1039/c7sc00278e. Epub 2017 Mar 10.

14.

G-quadruplex organic frameworks.

Wu YL, Horwitz NE, Chen KS, Gomez-Gualdron DA, Luu NS, Ma L, Wang TC, Hersam MC, Hupp JT, Farha OK, Snurr RQ, Wasielewski MR.

Nat Chem. 2017 May;9(5):466-472. doi: 10.1038/nchem.2689. Epub 2016 Dec 19.

PMID:
28430197
15.

Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles Study.

Liao P, Getman RB, Snurr RQ.

ACS Appl Mater Interfaces. 2017 Oct 4;9(39):33484-33492. doi: 10.1021/acsami.7b02195. Epub 2017 Apr 10.

PMID:
28394564
16.

Understanding Volumetric and Gravimetric Hydrogen Adsorption Trade-off in Metal-Organic Frameworks.

Gómez-Gualdrón DA, Wang TC, García-Holley P, Sawelewa RM, Argueta E, Snurr RQ, Hupp JT, Yildirim T, Farha OK.

ACS Appl Mater Interfaces. 2017 Oct 4;9(39):33419-33428. doi: 10.1021/acsami.7b01190. Epub 2017 Apr 7.

PMID:
28387498
17.

Metal-organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents.

Bobbitt NS, Mendonca ML, Howarth AJ, Islamoglu T, Hupp JT, Farha OK, Snurr RQ.

Chem Soc Rev. 2017 Jun 6;46(11):3357-3385. doi: 10.1039/c7cs00108h. Review.

PMID:
28345694
18.

A Redox-Active Bistable Molecular Switch Mounted inside a Metal-Organic Framework.

Chen Q, Sun J, Li P, Hod I, Moghadam PZ, Kean ZS, Snurr RQ, Hupp JT, Farha OK, Stoddart JF.

J Am Chem Soc. 2016 Nov 2;138(43):14242-14245. Epub 2016 Oct 24.

PMID:
27797189
19.

Framework-Topology-Dependent Catalytic Activity of Zirconium-Based (Porphinato)zinc(II) MOFs.

Deria P, Gómez-Gualdrón DA, Hod I, Snurr RQ, Hupp JT, Farha OK.

J Am Chem Soc. 2016 Nov 2;138(43):14449-14457. Epub 2016 Oct 21.

PMID:
27768297
20.

CO2 adsorption-induced structural changes in coordination polymer ligands elucidated via molecular simulations and experiments.

Meza-Morales PJ, Gómez-Gualdrón DA, Arrieta-Perez RR, Hernández-Maldonado AJ, Snurr RQ, Curet-Arana MC.

Dalton Trans. 2016 Nov 1;45(43):17168-17178.

PMID:
27722350
21.

In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm.

Chung YG, Gómez-Gualdrón DA, Li P, Leperi KT, Deria P, Zhang H, Vermeulen NA, Stoddart JF, You F, Hupp JT, Farha OK, Snurr RQ.

Sci Adv. 2016 Oct 14;2(10):e1600909. eCollection 2016 Oct.

22.

Nanosizing a Metal-Organic Framework Enzyme Carrier for Accelerating Nerve Agent Hydrolysis.

Li P, Moon SY, Guelta MA, Lin L, Gómez-Gualdrón DA, Snurr RQ, Harvey SP, Hupp JT, Farha OK.

ACS Nano. 2016 Oct 25;10(10):9174-9182. doi: 10.1021/acsnano.6b04996. Epub 2016 Oct 5.

PMID:
27701869
23.

High-Throughput Screening of Metal-Organic Frameworks for CO2 Capture in the Presence of Water.

Li S, Chung YG, Snurr RQ.

Langmuir. 2016 Oct 11;32(40):10368-10376. Epub 2016 Sep 27.

PMID:
27627635
24.

CD-MOF: A Versatile Separation Medium.

Hartlieb KJ, Holcroft JM, Moghadam PZ, Vermeulen NA, Algaradah MM, Nassar MS, Botros YY, Snurr RQ, Stoddart JF.

J Am Chem Soc. 2016 Feb 24;138(7):2292-301. doi: 10.1021/jacs.5b12860. Epub 2016 Feb 10.

PMID:
26812983
25.

Application of Consistency Criteria To Calculate BET Areas of Micro- And Mesoporous Metal-Organic Frameworks.

Gómez-Gualdrón DA, Moghadam PZ, Hupp JT, Farha OK, Snurr RQ.

J Am Chem Soc. 2016 Jan 13;138(1):215-24. doi: 10.1021/jacs.5b10266. Epub 2015 Dec 24.

PMID:
26651496
26.

A modelling approach for MOF-encapsulated metal catalysts and application to n-butane oxidation.

Gomez-Gualdron DA, Dix ST, Getman RB, Snurr RQ.

Phys Chem Chem Phys. 2015 Nov 7;17(41):27596-608. doi: 10.1039/c5cp04705f.

PMID:
26426485
27.

High volumetric uptake of ammonia using Cu-MOF-74/Cu-CPO-27.

Katz MJ, Howarth AJ, Moghadam PZ, DeCoste JB, Snurr RQ, Hupp JT, Farha OK.

Dalton Trans. 2016 Mar 14;45(10):4150-3. doi: 10.1039/c5dt03436a.

PMID:
26420362
28.

Ultraporous, Water Stable, and Breathing Zirconium-Based Metal-Organic Frameworks with ftw Topology.

Deria P, Gómez-Gualdrón DA, Bury W, Schaef HT, Wang TC, Thallapally PK, Sarjeant AA, Snurr RQ, Hupp JT, Farha OK.

J Am Chem Soc. 2015 Oct 14;137(40):13183-90. doi: 10.1021/jacs.5b08860. Epub 2015 Oct 3.

PMID:
26387968
29.

Water stabilization of Zr6-based metal-organic frameworks via solvent-assisted ligand incorporation.

Deria P, Chung YG, Snurr RQ, Hupp JT, Farha OK.

Chem Sci. 2015 Sep 1;6(9):5172-5176. doi: 10.1039/c5sc01784j. Epub 2015 Jul 1.

30.

Heterogeneous Diffusion of Alkanes in the Hierarchical Metal-Organic Framework NU-1000.

Vargas EL, Snurr RQ.

Langmuir. 2015 Sep 15;31(36):10056-65. doi: 10.1021/acs.langmuir.5b02420. Epub 2015 Aug 31.

PMID:
26302209
31.

Electrochemically addressable trisradical rotaxanes organized within a metal-organic framework.

McGonigal PR, Deria P, Hod I, Moghadam PZ, Avestro AJ, Horwitz NE, Gibbs-Hall IC, Blackburn AK, Chen D, Botros YY, Wasielewski MR, Snurr RQ, Hupp JT, Farha OK, Stoddart JF.

Proc Natl Acad Sci U S A. 2015 Sep 8;112(36):11161-8. doi: 10.1073/pnas.1514485112. Epub 2015 Aug 17.

32.

A MOF platform for incorporation of complementary organic motifs for CO2 binding.

Deria P, Li S, Zhang H, Snurr RQ, Hupp JT, Farha OK.

Chem Commun (Camb). 2015 Aug 11;51(62):12478-81. doi: 10.1039/c5cc04808g.

PMID:
26145451
33.

Carbohydrate-mediated purification of petrochemicals.

Holcroft JM, Hartlieb KJ, Moghadam PZ, Bell JG, Barin G, Ferris DP, Bloch ED, Algaradah MM, Nassar MS, Botros YY, Thomas KM, Long JR, Snurr RQ, Stoddart JF.

J Am Chem Soc. 2015 May 6;137(17):5706-19. doi: 10.1021/ja511878b. Epub 2015 Apr 22.

34.

Destruction of chemical warfare agents using metal-organic frameworks.

Mondloch JE, Katz MJ, Isley WC 3rd, Ghosh P, Liao P, Bury W, Wagner GW, Hall MG, DeCoste JB, Peterson GW, Snurr RQ, Cramer CJ, Hupp JT, Farha OK.

Nat Mater. 2015 May;14(5):512-6. doi: 10.1038/nmat4238. Epub 2015 Mar 16.

PMID:
25774952
35.

Ultrahigh surface area zirconium MOFs and insights into the applicability of the BET theory.

Wang TC, Bury W, Gómez-Gualdrón DA, Vermeulen NA, Mondloch JE, Deria P, Zhang K, Moghadam PZ, Sarjeant AA, Snurr RQ, Stoddart JF, Hupp JT, Farha OK.

J Am Chem Soc. 2015 Mar 18;137(10):3585-91. doi: 10.1021/ja512973b. Epub 2015 Mar 9.

PMID:
25723400
36.

Hierarchically porous organic polymers: highly enhanced gas uptake and transport through templated synthesis.

Chakraborty S, Colón YJ, Snurr RQ, Nguyen ST.

Chem Sci. 2015 Jan 1;6(1):384-389. doi: 10.1039/c4sc02502d. Epub 2014 Sep 16.

37.

Water-stable zirconium-based metal-organic framework material with high-surface area and gas-storage capacities.

Gutov OV, Bury W, Gomez-Gualdron DA, Krungleviciute V, Fairen-Jimenez D, Mondloch JE, Sarjeant AA, Al-Juaid SS, Snurr RQ, Hupp JT, Yildirim T, Farha OK.

Chemistry. 2014 Sep 22;20(39):12389-93. doi: 10.1002/chem.201402895. Epub 2014 Aug 14.

PMID:
25123293
38.

Water adsorption in UiO-66: the importance of defects.

Ghosh P, Colón YJ, Snurr RQ.

Chem Commun (Camb). 2014 Oct 7;50(77):11329-31. doi: 10.1039/c4cc04945d.

PMID:
25116653
39.

High-throughput computational screening of metal-organic frameworks.

Colón YJ, Snurr RQ.

Chem Soc Rev. 2014 Aug 21;43(16):5735-49. doi: 10.1039/c4cs00070f.

PMID:
24777001
40.

The effect of pyridine modification of Ni-DOBDC on CO2 capture under humid conditions.

Bae YS, Liu J, Wilmer CE, Sun H, Dickey AN, Kim MB, Benin AI, Willis RR, Barpaga D, LeVan MD, Snurr RQ.

Chem Commun (Camb). 2014 Mar 28;50(25):3296-8. doi: 10.1039/c3cc44954h.

PMID:
24527490
41.
42.

Perfluoroalkane functionalization of NU-1000 via solvent-assisted ligand incorporation: synthesis and CO2 adsorption studies.

Deria P, Mondloch JE, Tylianakis E, Ghosh P, Bury W, Snurr RQ, Hupp JT, Farha OK.

J Am Chem Soc. 2013 Nov 13;135(45):16801-4. doi: 10.1021/ja408959g. Epub 2013 Oct 31.

PMID:
24175709
43.

A facile synthesis of UiO-66, UiO-67 and their derivatives.

Katz MJ, Brown ZJ, Colón YJ, Siu PW, Scheidt KA, Snurr RQ, Hupp JT, Farha OK.

Chem Commun (Camb). 2013 Oct 21;49(82):9449-51. doi: 10.1039/c3cc46105j.

PMID:
24008272
44.

Vapor-phase metalation by atomic layer deposition in a metal-organic framework.

Mondloch JE, Bury W, Fairen-Jimenez D, Kwon S, DeMarco EJ, Weston MH, Sarjeant AA, Nguyen ST, Stair PC, Snurr RQ, Farha OK, Hupp JT.

J Am Chem Soc. 2013 Jul 17;135(28):10294-7. doi: 10.1021/ja4050828. Epub 2013 Jul 5.

PMID:
23829224
45.

Simultaneously high gravimetric and volumetric methane uptake characteristics of the metal-organic framework NU-111.

Peng Y, Srinivas G, Wilmer CE, Eryazici I, Snurr RQ, Hupp JT, Yildirim T, Farha OK.

Chem Commun (Camb). 2013 Apr 14;49(29):2992-4. doi: 10.1039/c3cc40819a.

PMID:
23459705
46.

Computational screening of functional groups for ammonia capture in metal-organic frameworks.

Kim KC, Yu D, Snurr RQ.

Langmuir. 2013 Feb 5;29(5):1446-56. doi: 10.1021/la3045237. Epub 2013 Jan 24.

PMID:
23305323
47.

Light-harvesting and ultrafast energy migration in porphyrin-based metal-organic frameworks.

Son HJ, Jin S, Patwardhan S, Wezenberg SJ, Jeong NC, So M, Wilmer CE, Sarjeant AA, Schatz GC, Snurr RQ, Farha OK, Wiederrecht GP, Hupp JT.

J Am Chem Soc. 2013 Jan 16;135(2):862-9. doi: 10.1021/ja310596a. Epub 2013 Jan 2.

PMID:
23249338
48.

Incorporation of an A1/A2-difunctionalized pillar[5]arene into a metal-organic framework.

Strutt NL, Fairen-Jimenez D, Iehl J, Lalonde MB, Snurr RQ, Farha OK, Hupp JT, Stoddart JF.

J Am Chem Soc. 2012 Oct 24;134(42):17436-9. doi: 10.1021/ja3082523. Epub 2012 Oct 12.

PMID:
23025413
49.

Understanding excess uptake maxima for hydrogen adsorption isotherms in frameworks with rht topology.

Fairen-Jimenez D, Colón YJ, Farha OK, Bae YS, Hupp JT, Snurr RQ.

Chem Commun (Camb). 2012 Nov 4;48(85):10496-8.

PMID:
22992582
50.

An Extended Charge Equilibration Method.

Wilmer CE, Kim KC, Snurr RQ.

J Phys Chem Lett. 2012 Sep 6;3(17):2506-11. doi: 10.1021/jz3008485. Epub 2012 Aug 24.

PMID:
26292141

Supplemental Content

Loading ...
Support Center