227 related articles for article (PubMed ID: 19133795)
1. Systematic first principles parameterization of force fields for metal-organic frameworks using a genetic algorithm approach.
Tafipolsky M; Schmid R
J Phys Chem B; 2009 Feb; 113(5):1341-52. PubMed ID: 19133795
[TBL] [Abstract][Full Text] [Related]
2. Ab initio parametrized MM3 force field for the metal-organic framework MOF-5.
Tafipolsky M; Amirjalayer S; Schmid R
J Comput Chem; 2007 May; 28(7):1169-76. PubMed ID: 17301955
[TBL] [Abstract][Full Text] [Related]
3. An extensible and systematic force field, ESFF, for molecular modeling of organic, inorganic, and organometallic systems.
Shi S; Yan L; Yang Y; Fisher-Shaulsky J; Thacher T
J Comput Chem; 2003 Jul; 24(9):1059-76. PubMed ID: 12759906
[TBL] [Abstract][Full Text] [Related]
4. QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.
Vanduyfhuys L; Vandenbrande S; Verstraelen T; Schmid R; Waroquier M; Van Speybroeck V
J Comput Chem; 2015 May; 36(13):1015-27. PubMed ID: 25740170
[TBL] [Abstract][Full Text] [Related]
5. Comparative molecular simulation study of CO2/N2 and CH4/N2 separation in zeolites and metal-organic frameworks.
Liu B; Smit B
Langmuir; 2009 May; 25(10):5918-26. PubMed ID: 19382791
[TBL] [Abstract][Full Text] [Related]
6. Accessing postsynthetic modification in a series of metal-organic frameworks and the influence of framework topology on reactivity.
Wang Z; Tanabe KK; Cohen SM
Inorg Chem; 2009 Jan; 48(1):296-306. PubMed ID: 19053339
[TBL] [Abstract][Full Text] [Related]
7. Metal-organic frameworks with exceptionally high capacity for storage of carbon dioxide at room temperature.
Millward AR; Yaghi OM
J Am Chem Soc; 2005 Dec; 127(51):17998-9. PubMed ID: 16366539
[TBL] [Abstract][Full Text] [Related]
8. Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materials.
Samanta A; Furuta T; Li J
J Chem Phys; 2006 Aug; 125(8):084714. PubMed ID: 16965046
[TBL] [Abstract][Full Text] [Related]
9. Rational design of ion force fields based on thermodynamic solvation properties.
Horinek D; Mamatkulov SI; Netz RR
J Chem Phys; 2009 Mar; 130(12):124507. PubMed ID: 19334851
[TBL] [Abstract][Full Text] [Related]
10. Hierarchical modeling of ammonia adsorption in functionalized metal-organic frameworks.
Yu D; Ghosh P; Snurr RQ
Dalton Trans; 2012 Apr; 41(14):3962-73. PubMed ID: 22373889
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Heats of adsorption for seven gases in three metal-organic frameworks: systematic comparison of experiment and simulation.
Farrusseng D; Daniel C; Gaudillère C; Ravon U; Schuurman Y; Mirodatos C; Dubbeldam D; Frost H; Snurr RQ
Langmuir; 2009 Jul; 25(13):7383-8. PubMed ID: 19496548
[TBL] [Abstract][Full Text] [Related]
13. Coarse graining of force fields for metal-organic frameworks.
Dürholt JP; Galvelis R; Schmid R
Dalton Trans; 2016 Mar; 45(10):4370-9. PubMed ID: 26732756
[TBL] [Abstract][Full Text] [Related]
14. Tailor-made force fields for crystal-structure prediction.
Neumann MA
J Phys Chem B; 2008 Aug; 112(32):9810-29. PubMed ID: 18642947
[TBL] [Abstract][Full Text] [Related]
15. The controlled growth of oriented metal-organic frameworks on functionalized surfaces as followed by scanning force microscopy.
Munuera C; Shekhah O; Wang H; Wöll C; Ocal C
Phys Chem Chem Phys; 2008 Dec; 10(48):7257-61. PubMed ID: 19060970
[TBL] [Abstract][Full Text] [Related]
16. Proton and water activity-controlled structure formation in zinc carboxylate-based metal organic frameworks.
Hausdorf S; Wagler J; Mossig R; Mertens FO
J Phys Chem A; 2008 Aug; 112(33):7567-76. PubMed ID: 18652430
[TBL] [Abstract][Full Text] [Related]
17. Significantly enhanced hydrogen storage in metal-organic frameworks via spillover.
Li Y; Yang RT
J Am Chem Soc; 2006 Jan; 128(3):726-7. PubMed ID: 16417355
[TBL] [Abstract][Full Text] [Related]
18. Systematic functionalization of a metal-organic framework via a postsynthetic modification approach.
Tanabe KK; Wang Z; Cohen SM
J Am Chem Soc; 2008 Jul; 130(26):8508-17. PubMed ID: 18540671
[TBL] [Abstract][Full Text] [Related]
19. Postsynthetic modification of metal-organic frameworks.
Wang Z; Cohen SM
Chem Soc Rev; 2009 May; 38(5):1315-29. PubMed ID: 19384440
[TBL] [Abstract][Full Text] [Related]
20. Interaction of Hydrogen with MOF-5.
Bordiga S; Vitillo JG; Ricchiardi G; Regli L; Cocina D; Zecchina A; Arstad B; Bjørgen M; Hafizovic J; Lillerud KP
J Phys Chem B; 2005 Oct; 109(39):18237-42. PubMed ID: 16853346
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]