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- 2022
-
Mark
Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins
Jafari, Sonia ; Tavares Santos, Yakini A. ; Bergmann, Justin LU ; Irani, Mehdi LU and Ryde, Ulf LU
(2022)
In Inorganic Chemistry
61(16).
p.5991-6007
- Contribution to journal › Article
-
Mark
A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions
Hosseini, Atiyeh Najla ; Lund, Mikael LU
and Ejtehadi, Mohammad Reza
(2022)
In Physical Chemistry Chemical Physics
24(6).
p.3647-3654
- Contribution to journal › Article
-
Mark
Anion-cation contrast of small molecule solvation in salt solutions
Hervø-Hansen, Stefan LU ; Heyda, Jan ; Lund, Mikael LU
and Matubayasi, Nobuyuki
(2022)
In Physical Chemistry Chemical Physics
24(5).
p.3238-3249
- Contribution to journal › Article
-
Mark
The origin of enhanced O2+ production from photoionized CO2 clusters
Ganguly, Smita LU ; Barreiro, Darío ; Walsh, Noelle LU ; Oostenrijk, Bart LU ; Sorensen, Stacey L LU
; Díaz-Tendero, Sergio
and Gisselbrecht, Mathieu
LU
(2022)
In Communications Chemistry
- Contribution to journal › Article
-
Mark
Aggregation of gluten proteins - from wheat seed biology to hydrogels : Scientific modelling based primarily on Monte-Carlo and HPLC methods
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Combining crystallography with quantum mechanics
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2022)
In Current Opinion in Structural Biology
72.
p.18-26
- Contribution to journal › Scientific review
-
Mark
Photophysical Integrity of the Iron(III) Scorpionate Framework in Iron(III)-NHC Complexes with Long-Lived 2LMCT Excited States
Prakash, Om LU ; Lindh, Linnea LU
; Kaul, Nidhi
; Rosemann, Nils W.
LU
; Losada, Iria Bolaño
LU
; Johnson, Catherine
; Chábera, Pavel
LU
; Ilic, Aleksandra
LU
; Schwarz, Jesper
LU
and Gupta, Arvind Kumar
LU
, et al.
(2022)
In Inorganic Chemistry
61(44).
p.17515-17526
- Contribution to journal › Article
-
Mark
Polymer-Mediated Interactions and Phase Behaviour of Polymer-Particle Dispersions
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Interfacial behaviours of ionic fluids : Theory and simulations
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Resonant inelastic soft x-ray scattering on LaPt2Si2
- Contribution to journal › Article