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- 2018
-
Mark
The effect of the relative permittivity on the tactoid formation in nanoplatelet systems. A combined computer simulation, SAXS, and osmotic pressure study
Jansson, Maria LU ; Thuresson, Axel LU ; Plivelic, Tomás S. LU ; Forsman, Jan LU and Skepö, Marie LU
(2018)
In Journal of Colloid and Interface Science
513.
p.575-584
- Contribution to journal › Article
-
Mark
Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
Caldararu, Octav LU ; Olsson, Martin A. LU ; Misini Ignjatović, Majda LU ; Wang, Meiting and Ryde, Ulf LU
(2018)
In Journal of Computer-Aided Molecular Design
32(10).
p.1027-1046
- Contribution to journal › Article
-
Mark
Reaction mechanism of formate dehydrogenase studied by computational methods
Dong, Geng LU and Ryde, Ulf LU
(2018)
In Journal of Biological Inorganic Chemistry
23(8).
p.1243-1254
- Contribution to journal › Article
-
Mark
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
- Contribution to journal › Article
-
Mark
Reaction mechanism of metalloenzymes studied by theoretical methods
(2018)
- Thesis › Doctoral thesis (compilation)
-
Mark
A classical density functional theory for the asymmetric restricted primitive model of ionic liquids
- Contribution to journal › Article
-
Mark
FeII Hexa N-Heterocyclic Carbene Complex with a 528 ps Metal-To-Ligand Charge-Transfer Excited-State Lifetime
Chábera, Pavel LU ; Kjaer, Kasper S. LU ; Prakash, Om LU ; Honarfar, Alireza ; Liu, Yizhu LU ; Fredin, Lisa A. LU ; Harlang, Tobias C.B. LU ; Lidin, Sven LU ; Uhlig, Jens LU
and Sundström, Villy
LU
, et al.
(2018)
In Journal of Physical Chemistry Letters
9(3).
p.459-463
- Contribution to journal › Article
-
Mark
Aggregate Size Dependence of Amyloid Adsorption onto Charged Interfaces
Tesei, Giulio LU ; Hellstrand, Erik LU ; Sanagavarapu, Kalyani LU ; Linse, Sara LU ; Sparr, Emma LU ; Vácha, Robert and Lund, Mikael LU
(2018)
In Langmuir
34(4).
p.1266-1273
- Contribution to journal › Article
-
Mark
Ionic liquid interface at an electrode : Simulations of electrochemical properties using an asymmetric restricted primitive model
- Contribution to journal › Article
-
Mark
Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2′-bipyridine)(CN)4]2-
- Contribution to journal › Article