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Items: 1 to 20 of 264

1.

Elucidating the breathing of the metal-organic framework MIL-53(Sc) with ab initio molecular dynamics simulations and in situ X-ray powder diffraction experiments.

Chen L, Mowat JP, Fairen-Jimenez D, Morrison CA, Thompson SP, Wright PA, Düren T.

J Am Chem Soc. 2013 Oct 23;135(42):15763-73. doi: 10.1021/ja403453g. Epub 2013 Jun 18.

PMID:
23731240
2.

Adsorption of N/S heterocycles in the flexible metal-organic framework MIL-53(Fe(III)) studied by in situ energy dispersive X-ray diffraction.

Van de Voorde B, Munn AS, Guillou N, Millange F, De Vos DE, Walton RI.

Phys Chem Chem Phys. 2013 Jun 14;15(22):8606-15. doi: 10.1039/c3cp44349c. Epub 2013 Feb 25.

PMID:
23439974
3.

Prediction of the conditions for breathing of metal organic framework materials using a combination of X-ray powder diffraction, microcalorimetry, and molecular simulation.

Llewellyn PL, Maurin G, Devic T, Loera-Serna S, Rosenbach N, Serre C, Bourrelly S, Horcajada P, Filinchuk Y, Férey G.

J Am Chem Soc. 2008 Sep 24;130(38):12808-14. doi: 10.1021/ja803899q. Epub 2008 Aug 27.

PMID:
18729451
4.

New V(IV)-based metal-organic framework having framework flexibility and high CO2 adsorption capacity.

Liu YY, Couck S, Vandichel M, Grzywa M, Leus K, Biswas S, Volkmer D, Gascon J, Kapteijn F, Denayer JF, Waroquier M, Van Speybroeck V, Van Der Voort P.

Inorg Chem. 2013 Jan 7;52(1):113-20. doi: 10.1021/ic301338a. Epub 2012 Dec 20.

PMID:
23256823
5.

Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.

Cauët E, Bogatko S, Weare JH, Fulton JL, Schenter GK, Bylaska EJ.

J Chem Phys. 2010 May 21;132(19):194502. doi: 10.1063/1.3421542.

PMID:
20499974
6.

Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal-organic frameworks: a combination of molecular simulations and microcalorimetry/gravimetry measurements.

Rosenbach N Jr, Ghoufi A, Déroche I, Llewellyn PL, Devic T, Bourrelly S, Serre C, Férey G, Maurin G.

Phys Chem Chem Phys. 2010 Jun 28;12(24):6428-37. doi: 10.1039/c001173h. Epub 2010 May 7.

PMID:
20454715
7.

Effect of synthesis solvent on the breathing behavior of MIL-53(Al).

Mounfield WP 3rd, Walton KS.

J Colloid Interface Sci. 2015 Jun 1;447:33-9. doi: 10.1016/j.jcis.2015.01.027. Epub 2015 Jan 22.

PMID:
25697686
8.

Structural chemistry, monoclinic-to-orthorhombic phase transition, and CO2 adsorption behavior of the small pore scandium terephthalate, Sc2(O2CC6H4)CO2)3, and its nitro- and amino-functionalized derivatives.

Mowat JP, Miller SR, Griffin JM, Seymour VR, Ashbrook SE, Thompson SP, Fairen-Jimenez D, Banu AM, Düren T, Wright PA.

Inorg Chem. 2011 Nov 7;50(21):10844-58. doi: 10.1021/ic201387d. Epub 2011 Sep 29.

PMID:
21958382
9.

Co-adsorption and separation of CO2-CH4 mixtures in the highly flexible MIL-53(Cr) MOF.

Hamon L, Llewellyn PL, Devic T, Ghoufi A, Clet G, Guillerm V, Pirngruber GD, Maurin G, Serre C, Driver G, van Beek W, Jolimaître E, Vimont A, Daturi M, Férey G.

J Am Chem Soc. 2009 Dec 2;131(47):17490-9. doi: 10.1021/ja907556q.

PMID:
19904944
10.

Tracking the evolution and differences between guest-induced phases of Ga-MIL-53 via ultra-wideline 69/71Ga solid-state NMR spectroscopy.

Zhang Y, Lucier BE, Terskikh VV, Zheng R, Huang Y.

Solid State Nucl Magn Reson. 2017 Jan 31. pii: S0926-2040(16)30122-9. doi: 10.1016/j.ssnmr.2017.01.008. [Epub ahead of print]

PMID:
28214103
11.

Synthesis of MIL-102, a chromium carboxylate metal-organic framework, with gas sorption analysis.

Surblé S, Millange F, Serre C, Düren T, Latroche M, Bourrelly S, Llewellyn PL, Férey G.

J Am Chem Soc. 2006 Nov 22;128(46):14889-96.

PMID:
17105299
12.

Kinetic products in coordination networks: ab initio X-ray powder diffraction analysis.

Martí-Rujas J, Kawano M.

Acc Chem Res. 2013 Feb 19;46(2):493-505. doi: 10.1021/ar300212v. Epub 2012 Dec 19.

PMID:
23252592
13.

NMR crystallography to probe the breathing effect of the MIL-53(Al) metal-organic framework using solid-state NMR measurements of 13C-27Al distances.

Giovine R, Volkringer C, Trébosc J, Amoureux JP, Loiseau T, Lafon O, Pourpoint F.

Acta Crystallogr C Struct Chem. 2017 Mar 1;73(Pt 3):176-183. doi: 10.1107/S2053229616017915. Epub 2017 Feb 6.

PMID:
28257011
14.

Molecular-level characterization of the breathing behavior of the jungle-gym-type DMOF-1 metal-organic framework.

Grosch JS, Paesani F.

J Am Chem Soc. 2012 Mar 7;134(9):4207-15. doi: 10.1021/ja2100615. Epub 2012 Feb 21.

PMID:
22313371
15.

Complex adsorption of short linear alkanes in the flexible metal-organic-framework MIL-53(Fe).

Llewellyn PL, Horcajada P, Maurin G, Devic T, Rosenbach N, Bourrelly S, Serre C, Vincent D, Loera-Serna S, Filinchuk Y, Férey G.

J Am Chem Soc. 2009 Sep 16;131(36):13002-8. doi: 10.1021/ja902740r.

PMID:
19697934
16.

Deducing CO2 motion, adsorption locations and binding strengths in a flexible metal-organic framework without open metal sites.

Zhang Y, Lucier BE, Huang Y.

Phys Chem Chem Phys. 2016 Mar 28;18(12):8327-41. doi: 10.1039/c5cp04984a.

PMID:
26427010
17.

Structure and properties of Al-MIL-53-ADP, a breathing MOF based on the aliphatic linker molecule adipic acid.

Reinsch H, Pillai RS, Siegel R, Senker J, Lieb A, Maurin G, Stock N.

Dalton Trans. 2016 Mar 14;45(10):4179-86. doi: 10.1039/c5dt03510d.

PMID:
26498663
18.

Single crystal X-ray diffraction studies of carbon dioxide and fuel-related gases adsorbed on the small pore scandium terephthalate metal organic framework, Sc2(O2CC6H4CO2)3.

Miller SR, Wright PA, Devic T, Serre C, Férey G, Llewellyn PL, Denoyel R, Gaberova L, Filinchuk Y.

Langmuir. 2009 Apr 9;25(6):3618-26. doi: 10.1021/la803788u.

PMID:
19227988
19.

Framework breathing in the vapour-phase adsorption and separation of xylene isomers with the metal-organic framework MIL-53.

Finsy V, Kirschhock CE, Vedts G, Maes M, Alaerts L, De Vos DE, Baron GV, Denayer JF.

Chemistry. 2009 Aug 3;15(31):7724-31. doi: 10.1002/chem.200802672.

PMID:
19551773
20.

Reversible structural transition in MIL-53 with large temperature hysteresis.

Liu Y, Her JH, Dailly A, Ramirez-Cuesta AJ, Neumann DA, Brown CM.

J Am Chem Soc. 2008 Sep 3;130(35):11813-8. doi: 10.1021/ja803669w. Epub 2008 Aug 12.

PMID:
18693731

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