These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
2. Modeling adsorption in metal-organic frameworks with open metal sites: propane/propylene separations. Fischer M; Gomes JR; Fröba M; Jorge M Langmuir; 2012 Jun; 28(22):8537-49. PubMed ID: 22574969 [TBL] [Abstract][Full Text] [Related]
3. Trends in the adsorption of volatile organic compounds in a large-pore metal-organic framework, IRMOF-1. Luebbers MT; Wu T; Shen L; Masel RI Langmuir; 2010 Jul; 26(13):11319-29. PubMed ID: 20476773 [TBL] [Abstract][Full Text] [Related]
5. Understanding adsorption and interactions of alkane isomer mixtures in isoreticular metal-organic frameworks. Zhang L; Wang Q; Wu T; Liu YC Chemistry; 2007; 13(22):6387-96. PubMed ID: 17508381 [TBL] [Abstract][Full Text] [Related]
6. Hydrogen adsorption in metal-organic frameworks: the role of nuclear quantum effects. Wahiduzzaman M; Walther CF; Heine T J Chem Phys; 2014 Aug; 141(6):064708. PubMed ID: 25134591 [TBL] [Abstract][Full Text] [Related]
7. Recent advances on simulation and theory of hydrogen storage in metal-organic frameworks and covalent organic frameworks. Han SS; Mendoza-Cortés JL; Goddard WA Chem Soc Rev; 2009 May; 38(5):1460-76. PubMed ID: 19384448 [TBL] [Abstract][Full Text] [Related]
9. 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; Ghoufi A; Déroche I; Llewellyn PL; Devic T; Bourrelly S; Serre C; Férey G; Maurin G Phys Chem Chem Phys; 2010 Jun; 12(24):6428-37. PubMed ID: 20454715 [TBL] [Abstract][Full Text] [Related]
10. Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO(2) adsorption in the MIL-53 (Al) system. Ramsahye NA; Maurin G; Bourrelly S; Llewellyn P; Loiseau T; Ferey G Phys Chem Chem Phys; 2007 Mar; 9(9):1059-63. PubMed ID: 17311147 [TBL] [Abstract][Full Text] [Related]
11. Effects of surface area, free volume, and heat of adsorption on hydrogen uptake in metal-organic frameworks. Frost H; Düren T; Snurr RQ J Phys Chem B; 2006 May; 110(19):9565-70. PubMed ID: 16686503 [TBL] [Abstract][Full Text] [Related]
12. Development of a density functional theory in three-dimensional nanoconfined space: H2 storage in metal-organic frameworks. Liu Y; Liu H; Hu Y; Jiang J J Phys Chem B; 2009 Sep; 113(36):12326-31. PubMed ID: 19691336 [TBL] [Abstract][Full Text] [Related]
13. Effects of functionalization, catenation, and variation of the metal oxide and organic linking units on the low-pressure hydrogen adsorption properties of metal-organic frameworks. Rowsell JL; Yaghi OM J Am Chem Soc; 2006 Feb; 128(4):1304-15. PubMed ID: 16433549 [TBL] [Abstract][Full Text] [Related]
14. Understanding Gas adsorption selectivity in IRMOF-8 using molecular simulation. Pillai RS; Pinto ML; Pires J; Jorge M; Gomes JR ACS Appl Mater Interfaces; 2015 Jan; 7(1):624-37. PubMed ID: 25519048 [TBL] [Abstract][Full Text] [Related]
15. Computer simulation of the adsorption of light gases in covalent organic frameworks. Garberoglio G Langmuir; 2007 Nov; 23(24):12154-8. PubMed ID: 17956137 [TBL] [Abstract][Full Text] [Related]
17. Enhancing gas adsorption and separation capacity through ligand functionalization of microporous metal-organic framework structures. Zhao Y; Wu H; Emge TJ; Gong Q; Nijem N; Chabal YJ; Kong L; Langreth DC; Liu H; Zeng H; Li J Chemistry; 2011 Apr; 17(18):5101-9. PubMed ID: 21433121 [TBL] [Abstract][Full Text] [Related]
18. Understanding hydrogen adsorption in metal-organic frameworks with open metal sites: a computational study. Yang Q; Zhong C J Phys Chem B; 2006 Jan; 110(2):655-8. PubMed ID: 16471581 [TBL] [Abstract][Full Text] [Related]
19. DFT-Derived Force Fields for Modeling Hydrocarbon Adsorption in MIL-47(V). Kulkarni AR; Sholl DS Langmuir; 2015 Aug; 31(30):8453-68. PubMed ID: 26158777 [TBL] [Abstract][Full Text] [Related]
20. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material. Desgranges C; Delhommelle J J Chem Phys; 2012 May; 136(18):184108. PubMed ID: 22583278 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]