119 related articles for article (PubMed ID: 30307180)
1. Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetate.
Brehm M; Sebastiani D
J Chem Phys; 2018 May; 148(19):193802. PubMed ID: 30307180
[TBL] [Abstract][Full Text] [Related]
2. Uncovering the Properties of Dicationic Ionic Liquid Nanodroplets through Ab Initio Molecular Dynamics Simulations.
Memar ZO; Moosavi M
J Phys Chem B; 2023 Oct; 127(42):9111-9131. PubMed ID: 37843820
[TBL] [Abstract][Full Text] [Related]
3. Proton transfer and polarity changes in ionic liquid-water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate-water mixtures--part 1.
Brehm M; Weber H; Pensado AS; Stark A; Kirchner B
Phys Chem Chem Phys; 2012 Apr; 14(15):5030-44. PubMed ID: 22389030
[TBL] [Abstract][Full Text] [Related]
4. Ab initio molecular dynamics simulation of a 1-ethyl-3-methylimidazolium fluoride-hydrogen fluoride mixture.
Bhargava BL; Balasubramanian S
J Phys Chem B; 2008 Jun; 112(25):7566-73. PubMed ID: 18512890
[TBL] [Abstract][Full Text] [Related]
5. Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content.
Rabideau BD; Ismail AE
Phys Chem Chem Phys; 2015 Feb; 17(8):5767-75. PubMed ID: 25627658
[TBL] [Abstract][Full Text] [Related]
6. The bulk and the gas phase of 1-ethyl-3-methylimidazolium ethylsulfate: dispersion interaction makes the difference.
Malberg F; Pensado AS; Kirchner B
Phys Chem Chem Phys; 2012 Sep; 14(35):12079-82. PubMed ID: 22859056
[TBL] [Abstract][Full Text] [Related]
7. The importance of timescale for hydrogen bonding in imidazolium chloride ionic liquids.
Skarmoutsos I; Welton T; Hunt PA
Phys Chem Chem Phys; 2014 Feb; 16(8):3675-85. PubMed ID: 24419252
[TBL] [Abstract][Full Text] [Related]
8. Effect of dispersion on the structure and dynamics of the ionic liquid 1-ethyl-3-methylimidazolium thiocyanate.
Pensado AS; Brehm M; Thar J; Seitsonen AP; Kirchner B
Chemphyschem; 2012 May; 13(7):1845-53. PubMed ID: 22383333
[TBL] [Abstract][Full Text] [Related]
9. Segregation of ions at the interface: molecular dynamics studies of the bulk and liquid-vapor interface structure of equimolar binary mixtures of ionic liquids.
Palchowdhury S; Bhargava BL
Phys Chem Chem Phys; 2015 Aug; 17(30):19919-28. PubMed ID: 26166036
[TBL] [Abstract][Full Text] [Related]
10. Structure and dynamics of 1-ethyl-3-methylimidazolium acetate via molecular dynamics and neutron diffraction.
Bowron DT; D'Agostino C; Gladden LF; Hardacre C; Holbrey JD; Lagunas MC; McGregor J; Mantle MD; Mullan CL; Youngs TG
J Phys Chem B; 2010 Jun; 114(23):7760-8. PubMed ID: 20481539
[TBL] [Abstract][Full Text] [Related]
11. Understanding the Structure of the Hydrogen Bond Network and Its Influence on Vibrational Spectra in a Prototypical Aprotic Ionic Liquid.
Brela MZ; Kubisiak P; Eilmes A
J Phys Chem B; 2018 Oct; 122(41):9527-9537. PubMed ID: 30239203
[TBL] [Abstract][Full Text] [Related]
12. A shell-resolved analysis of preferential solvation of coffee ingredients in aqueous mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetate.
Zeindlhofer V; Berger M; Steinhauser O; Schröder C
J Chem Phys; 2018 May; 148(19):193819. PubMed ID: 30307218
[TBL] [Abstract][Full Text] [Related]
13. Droplet formation and growth inside a polymer network: A molecular dynamics simulation study.
Jung J; Jang E; Shoaib MA; Jo K; Kim JS
J Chem Phys; 2016 Apr; 144(13):134502. PubMed ID: 27059575
[TBL] [Abstract][Full Text] [Related]
14. High viscosity of imidazolium ionic liquids with the hydrogen sulfate anion: a Raman spectroscopy study.
Ribeiro MC
J Phys Chem B; 2012 Jun; 116(24):7281-90. PubMed ID: 22646491
[TBL] [Abstract][Full Text] [Related]
15. How can a carbene be active in an ionic liquid?
Thomas M; Brehm M; Hollóczki O; Kirchner B
Chemistry; 2014 Feb; 20(6):1622-9. PubMed ID: 24375892
[TBL] [Abstract][Full Text] [Related]
16. Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
Thomas M; Brehm M; Kirchner B
Phys Chem Chem Phys; 2015 Feb; 17(5):3207-13. PubMed ID: 25519776
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.
Choudhuri JR; Chandra A
J Chem Phys; 2014 Oct; 141(13):134703. PubMed ID: 25296824
[TBL] [Abstract][Full Text] [Related]
19. Molecular dynamics simulations of cellulase homologs in aqueous 1-ethyl-3-methylimidazolium chloride.
Johnson LB; Snow CD
J Biomol Struct Dyn; 2017 Jul; 35(9):1990-2002. PubMed ID: 27320477
[TBL] [Abstract][Full Text] [Related]
20. Ab Initio Simulations and Electronic Structure of Lithium-Doped Ionic Liquids: Structure, Transport, and Electrochemical Stability.
Haskins JB; Bauschlicher CW; Lawson JW
J Phys Chem B; 2015 Nov; 119(46):14705-19. PubMed ID: 26505208
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]