Computational Chemistry
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- 2025
-
Mark
Rheology and dynamics of dense particle suspensions in rotary shear flows
Agrawal, Naveen Kumar ; Ge, Zhouyang ; Trulsson, Martin LU
; Tammisola, Outi
and Brandt, Luca
(2025)
In Journal of Fluid Mechanics
1018.
- Contribution to journal › Article
-
Mark
Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
Losada, Iria Bolaño LU ; Ryde, Ulf LU
and Persson, Petter
LU
(2025)
In Journal of the American Chemical Society
147(35).
p.31509-31520
- Contribution to journal › Article
-
Mark
Lysozyme revisited
- Contribution to journal › Debate/Note/Editorial
-
Mark
Strong electrostatic attraction drives milk heteroprotein complex coacervation
Vinterbladh, Isabel LU
; Soussi, Rima Hachfi
; Forsman, Jan
LU
; Bouhallab, Said
and Lund, Mikael
LU
(2025)
In International Journal of Biological Macromolecules
286.
- Contribution to journal › Article
-
Mark
Coherent photoproduction of light vector mesons off nuclear targets in the dipole picture
- Contribution to journal › Article
-
Mark
Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations
Dehabadi, Maryam Haji ; Irani, Mehdi LU and Ryde, Ulf LU
(2025)
In Inorganic Chemistry
64(8).
p.3917-3929
- Contribution to journal › Article
-
Mark
Assessing the interaction between the N-terminal region of the membrane protein magnesium transporter A and a lipid bilayer
Skog, Amanda Eriksson LU ; Jones, Nykola C. ; Månsson, Linda K. LU ; Morth, Jens Preben ; Vrønning Hoffmann, Søren ; Gerelli, Yuri and Skepö, Marie LU
(2025)
In Journal of Colloid and Interface Science
683.
p.663-674
- Contribution to journal › Article
-
Mark
Embedded cluster approach for accurate electronic structure calculations of 229Th :CaF2
Nalikowski, Kamil LU ; Veryazov, Valera LU
; Beeks, Kjeld
; Schumm, Thorsten
and Krośnicki, Marek
(2025)
In Physical Review B
111(11).
- Contribution to journal › Article
-
Mark
Effect of temperature on the interaction rules between grain size and reaction rate of Al-Ga-based alloys for hydrogen generation
- Contribution to journal › Article
-
Mark
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
Wang, Meiting LU ; Jiang, Hao LU
and Ryde, Ulf
LU
(2025)
In Journal of Chemical Information and Modeling
65(4).
p.2107-2115
- Contribution to journal › Article