137 related articles for article (PubMed ID: 28773699)
1. H₂ Adsorbed Site-to-Site Electronic Delocalization within IRMOF-1: Understanding Non-Negligible Interactions at High Pressure.
Wu J; Kucukkal MU; Clark AE
Materials (Basel); 2016 Jul; 9(7):. PubMed ID: 28773699
[TBL] [Abstract][Full Text] [Related]
2. Binding energies of hydrogen molecules to isoreticular metal-organic framework materials.
Sagara T; Klassen J; Ortony J; Ganz E
J Chem Phys; 2005 Jul; 123(1):014701. PubMed ID: 16035857
[TBL] [Abstract][Full Text] [Related]
3. Ab initio study of hydrogen adsorption in MOF-5.
Sillar K; Hofmann A; Sauer J
J Am Chem Soc; 2009 Mar; 131(11):4143-50. PubMed ID: 19253977
[TBL] [Abstract][Full Text] [Related]
4. Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be).
Scott AM; Petrova T; Odbadrakh K; Nicholson DM; Fuentes-Cabrera M; Lewis JP; Hill FC; Leszczynski J
J Mol Model; 2012 Jul; 18(7):3363-78. PubMed ID: 22271094
[TBL] [Abstract][Full Text] [Related]
5. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
Göltl F; Grüneis A; Bučko T; Hafner J
J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
[TBL] [Abstract][Full Text] [Related]
6. Hydrogen physisorption on metal-organic framework linkers and metalated linkers: a computational study of the factors that control binding strength.
Tsivion E; Long JR; Head-Gordon M
J Am Chem Soc; 2014 Dec; 136(51):17827-35. PubMed ID: 25415078
[TBL] [Abstract][Full Text] [Related]
7. Alkali-metal azides interacting with metal-organic frameworks.
Armata N; Cortese R; Duca D; Triolo R
Chemphyschem; 2013 Jan; 14(1):220-6. PubMed ID: 23161861
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Pai CC; Li AH; Chao SD
J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
10. Revisiting isoreticular MOFs of alkaline earth metals: a comprehensive study on phase stability, electronic structure, chemical bonding, and optical properties of A-IRMOF-1 (A = Be, Mg, Ca, Sr, Ba).
Yang LM; Vajeeston P; Ravindran P; Fjellvåg H; Tilset M
Phys Chem Chem Phys; 2011 Jun; 13(21):10191-203. PubMed ID: 21503357
[TBL] [Abstract][Full Text] [Related]
11. Characterization of H2 binding sites in prototypical metal-organic frameworks by inelastic neutron scattering.
Rowsell JL; Eckert J; Yaghi OM
J Am Chem Soc; 2005 Oct; 127(42):14904-10. PubMed ID: 16231946
[TBL] [Abstract][Full Text] [Related]
12. Ab Initio Calculations for Molecule-Surface Interactions with Chemical Accuracy.
Sauer J
Acc Chem Res; 2019 Dec; 52(12):3502-3510. PubMed ID: 31765121
[TBL] [Abstract][Full Text] [Related]
13. Molecular simulations for adsorptive separation of CO2/CH4 mixture in metal-exposed, catenated, and charged metal-organic frameworks.
Babarao R; Jiang J; Sandler SI
Langmuir; 2009 May; 25(9):5239-47. PubMed ID: 19099354
[TBL] [Abstract][Full Text] [Related]
14. Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.
Chin YH; Buda C; Neurock M; Iglesia E
J Am Chem Soc; 2011 Oct; 133(40):15958-78. PubMed ID: 21919447
[TBL] [Abstract][Full Text] [Related]
15. Surface interactions and quantum kinetic molecular sieving for H2 and D2 adsorption on a mixed metal-organic framework material.
Chen B; Zhao X; Putkham A; Hong K; Lobkovsky EB; Hurtado EJ; Fletcher AJ; Thomas KM
J Am Chem Soc; 2008 May; 130(20):6411-23. PubMed ID: 18435535
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. 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]
18. Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: the CO2-benzene complex.
Witte J; Neaton JB; Head-Gordon M
J Chem Phys; 2014 Mar; 140(10):104707. PubMed ID: 24628196
[TBL] [Abstract][Full Text] [Related]
19. Molecular simulation on the stability and adsorption properties of choline-based ionic liquids/IRMOF-1 hybrid composite for selective H
Ishak MAI; Jumbri K; Daud S; Abdul Rahman MB; Abdul Wahab R; Yamagishi H; Yamamoto Y
J Hazard Mater; 2020 Nov; 399():123008. PubMed ID: 32502857
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]