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
On the existence of prewetting in supracritical fluid mixtures
- Contribution to journal › Article
-
Mark
Quantum refinement in real and reciprocal space
(2025)
- Thesis › Doctoral thesis (compilation)
-
Mark
Captivating bimolecular photoredox dynamics of a ligand-to-metal charge transfer complex
Wegeberg, Christina LU ; Calvet, Neus A. LU
; Krafft, Mila
LU
; Chábera, Pavel
LU
; Yartsev, Arkady
LU
and Persson, Petter
LU
(2025)
In Chemical Science
16(46).
p.21975-21990
- 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
The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide
Lundgren, Kristoffer J.M. LU ; Cao, Lili LU ; Torbjörnsson, Magne LU ; Hedegård, Erik D. LU and Ryde, Ulf LU
(2025)
In Dalton Transactions
54(8).
p.3141-3156
- 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
Exceptionally Strong Double-Layer Barriers Generated by Polyampholyte Salt
Ribar, David LU
; Woodward, Clifford E.
and Forsman, Jan
LU
(2025)
In Journal of Physical Chemistry B
129(17).
p.4241-4248
- 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