Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Bodil Ahlström"'
Publikováno v:
Frontiers in Chemistry, Vol 7 (2019)
A model able to a priori predict ion conductivities of ionic liquids (ILs) is a desired design tool. We here propose a set of simple conductivity models for ILs composed of small ions by only using data easily derived from standard DFT calculations a
Externí odkaz:
https://doaj.org/article/d9efef651d3440309432aaf235d80f3a
Publikováno v:
Frontiers in Chemistry
Frontiers in Chemistry, Vol 7 (2019)
Frontiers in Chemistry, Vol 7 (2019)
A model able to a priori predict ion conductivities of ionic liquids (ILs) is a desired design tool. We here propose a set of simple conductivity models for ILs composed of small ions by only using data easily derived from standard DFT calculations a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::232005ac23a3a3797c3f1bd690b72bf7
Autor:
Seoncheol Cha, Bodil Ahlström, Yukio Ouchi, Woongmo Sung, Doseok Kim, Patrik Johansson, Bongjin Moon, Mingqi Ao
Publikováno v:
Phys. Chem. Chem. Phys.. 16:9591-9601
Imidazolium-based ionic liquids having different anions 1-butyl-3-methylimidazolium ([BMIM]X: X = Cl(-), Br(-), I(-), and BF4(-)) and their aqueous mixtures were investigated by IR absorption and proton NMR spectroscopy. The IR spectra of these ionic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::04814d275d536b7024a9e9c84efa9a39
https://doi.org/10.1039/c4cp00589a
https://doi.org/10.1039/c4cp00589a
Autor:
Bodil Ahlström, Johan Bergenholtz
Publikováno v:
Fluid Phase Equilibria. 305:9-18
Gibbs ensemble Monte Carlo (GEMC) simulations have been done on polydisperse systems of particles interacting via the Asakura–Oosawa depletion potential. On restricting the range of the depletion attraction particles aggregate forming long-lived, u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::63eb75c0f1b5e733f91a579d042d4e29
https://doi.org/10.1016/j.fluid.2011.02.023
https://doi.org/10.1016/j.fluid.2011.02.023
Publikováno v:
Chemical Physics Letters. 361:129-135
For the first time, the Bergman reaction of a naturally occurring enediyne, namely dynemicin A, is fully investigated at the DFT level of theory using the B3LYP hybrid functional and VDZ basis sets. The calculated geometry of dynemicin A agrees well
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::727e5490e77a9cf93b19cf92433e38e9
https://doi.org/10.1016/s0009-2614(02)00932-6
https://doi.org/10.1016/s0009-2614(02)00932-6
Autor:
Bodil Ahlström, Johan Bergenholtz
Publikováno v:
Journal of Physics: Condensed Matter. 19:036102
Predictions of glass transitions from the idealized mode-coupling theory (MCT) are tested for systems with intermediate-range particle attractions. Liquid structure input to MCT is provided by the Asakura–Oosawa (AO) theory for the depletion intera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ff19fec988e6942255d52c681b82862
https://doi.org/10.1088/0953-8984/19/3/036102
https://doi.org/10.1088/0953-8984/19/3/036102