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Items: 20

1.

Molecular Simulation Insights on Xe/Kr Separation in a Set of Nanoporous Crystalline Membranes.

Anderson R, Schweitzer B, Wu T, Carreon MA, Gómez-Gualdrón DA.

ACS Appl Mater Interfaces. 2018 Jan 10;10(1):582-592. doi: 10.1021/acsami.7b14791. Epub 2017 Dec 29.

PMID:
29256241
2.

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
3.

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
4.

Bottom-up construction of a superstructure in a porous uranium-organic crystal.

Li P, Vermeulen NA, Malliakas CD, Gómez-Gualdrón DA, Howarth AJ, Mehdi BL, Dohnalkova A, Browning ND, O'Keeffe M, Farha OK.

Science. 2017 May 12;356(6338):624-627. doi: 10.1126/science.aam7851. Epub 2017 Apr 20.

PMID:
28428318
5.

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
6.

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
7.

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
8.

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.

9.

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 5. [Epub ahead of print]

PMID:
27701869
10.

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
11.

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
12.

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
13.

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
14.

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
15.

Dynamic evolution of supported metal nanocatalyst/carbon structure during single-walled carbon nanotube growth.

Gómez-Gualdrón DA, McKenzie GD, Alvarado JF, Balbuena PB.

ACS Nano. 2012 Jan 24;6(1):720-35. doi: 10.1021/nn204215c. Epub 2011 Dec 7.

PMID:
22133430
16.

Carbon nanotubes: engineering biomedical applications.

Gomez-Gualdrón DA, Burgos JC, Yu J, Balbuena PB.

Prog Mol Biol Transl Sci. 2011;104:175-245. doi: 10.1016/B978-0-12-416020-0.00005-X. Review.

PMID:
22093220
17.

Nanocatalyst structure as a template to define chirality of nascent single-walled carbon nanotubes.

Gómez-Gualdrón DA, Zhao J, Balbuena PB.

J Chem Phys. 2011 Jan 7;134(1):014705. doi: 10.1063/1.3509387.

PMID:
21219018
18.

Growth of chiral single-walled carbon nanotube caps in the presence of a cobalt cluster.

Gómez-Gualdrón DA, Balbuena PB.

Nanotechnology. 2009 May 27;20(21):215601. doi: 10.1088/0957-4484/20/21/215601. Epub 2009 May 6.

PMID:
19423932
19.

Molecular dynamics simulations of H2 adsorption in tetramethyl ammonium lithium phthalocyanine crystalline structures.

Lamonte K, Gómez Gualdrón DA, Cabrales-Navarro FA, Scanlon LG, Sandi G, Feld W, Balbuena PB.

J Phys Chem B. 2008 Dec 11;112(49):15775-82. doi: 10.1021/jp8050998.

PMID:
19367822
20.

The role of cap chirality in the mechanism of growth of single-wall carbon nanotubes.

Gómez-Gualdrón DA, Balbuena PB.

Nanotechnology. 2008 Dec 3;19(48):485604. doi: 10.1088/0957-4484/19/48/485604. Epub 2008 Nov 12.

PMID:
21836305

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