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- 2025
-
Mark
X-ray-absorption spectrum of O2+
Cornetta, Lucas M. ; Kjellsson, Ludvig ; Couto, Rafael C. ; Ågren, Hans ; Carravetta, Vincenzo ; Sörensen, Stacey L. LU
; Kubin, Markus
; Bülow, Christine
; Zamudio-Bayer, Vicente
and Von Issendorff, Bernd
, et al.
(2025)
In Physical Review A
111(2).
- Contribution to journal › Article
-
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
Validation of a Coarse-Grained Martini 3 Model for Molecular Oxygen
- 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
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
How structural dynamics influence the substrate oxidation energetics in lytic polysaccharide monooxygenases
Hagemann, Marlisa M. LU ; Ryde, Ulf LU
and Hedegård, Erik D.
LU
(2025)
In Inorganic Chemistry Frontiers
12(24).
p.8352-8362
- Contribution to journal › Article
-
Mark
Choose Your Level Wisely : Assessing Density Functionals and Dispersion Corrections for Metal Carbonyl Compounds
Glitz, Vinícius LU
; Port, Vinícius Capriles
; Nordlander, Ebbe
LU
; Peralta, Rosely Aparecida
and Caramori, Giovanni Finoto
(2025)
In Journal of Computational Chemistry
46(27).
- Contribution to journal › Article
- 2024
-
Mark
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)4H]− Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Vysotskiy, Victor P. LU ; Filippi, Claudia and Ryde, Ulf LU
(2024)
In Journal of Physical Chemistry A
128(7).
p.1358-1374
- Contribution to journal › Article
-
Mark
QM/MM study of the catalytic reaction of aphid myrosinase
Jafari, Sonia ; Ryde, Ulf LU
and Irani, Mehdi
LU
(2024)
In International Journal of Biological Macromolecules
262.
- Contribution to journal › Article
-
Mark
Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions
- Contribution to journal › Article