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.
7. Studies of structural, dynamical, and interfacial properties of 1-alkyl-3-methylimidazolium iodide ionic liquids by molecular dynamics simulation. Ghatee MH; Zolghadr AR; Moosavi F; Ansari Y J Chem Phys; 2012 Mar; 136(12):124706. PubMed ID: 22462887 [TBL] [Abstract][Full Text] [Related]
8. Molecular dynamics simulations of carbon dioxide and water at an ionic liquid interface. Perez-Blanco ME; Maginn EJ J Phys Chem B; 2011 Sep; 115(35):10488-99. PubMed ID: 21800915 [TBL] [Abstract][Full Text] [Related]
9. Using molecular simulation to understand the structure of [C2C1im]+-alkylsulfate ionic liquids: bulk and liquid-vapor interfaces. Paredes X; Fernández J; Pádua AA; Malfreyt P; Malberg F; Kirchner B; Pensado AS J Phys Chem B; 2012 Dec; 116(48):14159-70. PubMed ID: 23145486 [TBL] [Abstract][Full Text] [Related]
10. Surface tension of room temperature ionic liquids measured by dynamic light scattering. Osada R; Hoshino T; Okada K; Ohmasa Y; Yao M J Chem Phys; 2009 May; 130(18):184705. PubMed ID: 19449941 [TBL] [Abstract][Full Text] [Related]
11. Surface tension of water and acid gases from Monte Carlo simulations. Ghoufi A; Goujon F; Lachet V; Malfreyt P J Chem Phys; 2008 Apr; 128(15):154716. PubMed ID: 18433267 [TBL] [Abstract][Full Text] [Related]
12. Layering at an ionic liquid-vapor interface: a molecular dynamics simulation study of [bmim][PF6]. Bhargava BL; Balasubramanian S J Am Chem Soc; 2006 Aug; 128(31):10073-8. PubMed ID: 16881635 [TBL] [Abstract][Full Text] [Related]
14. A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model. Patel S; Brooks CL J Chem Phys; 2005 Jan; 122(2):024508. PubMed ID: 15638599 [TBL] [Abstract][Full Text] [Related]
15. Molecular dynamics simulations of CO2 at an ionic liquid interface: adsorption, ordering, and interfacial crossing. Perez-Blanco ME; Maginn EJ J Phys Chem B; 2010 Sep; 114(36):11827-37. PubMed ID: 20687572 [TBL] [Abstract][Full Text] [Related]
16. Molecular dynamics simulations of n-hexane at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide interface. Lísal M; Izák P J Chem Phys; 2013 Jul; 139(1):014704. PubMed ID: 23822317 [TBL] [Abstract][Full Text] [Related]
17. Molecular mechanism of CO2 and SO2 molecules binding to the air/liquid interface of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid: a molecular dynamics study with polarizable potential models. Wick CD; Chang TM; Dang LX J Phys Chem B; 2010 Nov; 114(46):14965-71. PubMed ID: 20882993 [TBL] [Abstract][Full Text] [Related]
18. Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface. Goujon F; Malfreyt P; Simon JM; Boutin A; Rousseau B; Fuchs AH J Chem Phys; 2004 Dec; 121(24):12559-71. PubMed ID: 15606277 [TBL] [Abstract][Full Text] [Related]
19. The liquid surface of chiral ionic liquids as seen from molecular dynamics simulations combined with intrinsic analysis. Lísal M J Chem Phys; 2013 Dec; 139(21):214701. PubMed ID: 24320388 [TBL] [Abstract][Full Text] [Related]
20. Structure and orientation of the imidazolium cation at the room-temperature ionic liquid/SiO2 interface measured by sum-frequency vibrational spectroscopy. Rollins JB; Fitchett BD; Conboy JC J Phys Chem B; 2007 May; 111(18):4990-9. PubMed ID: 17441750 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]