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2025
Mark Characterization of rapeseed protein supramolecular structures obtained by aqueous extractions
Alpiger, Simone Bleibach ; Smith, Gregory N. ; Pedersen, Jan Skov ; Moeller, Thea Lykkegaard ; Soerensen, Henrik Vinther ^LU and Corredig, Milena ^LU (2025) In Food Hydrocolloids 160.
- Contribution to journal › Article
2024
Mark H₂ formation from the E₂–E₄ states of nitrogenase
Jiang, Hao ^LU and Ryde, Ulf ^LU (2024) In Physical Chemistry Chemical Physics 26(2). p.1364-1375
- Contribution to journal › Article
Mark Side-group switching between metal-to-ligand charge-transfer and metal-centered excited state properties in iron(II) N-heterocyclic carbene complexes
Lindh, Linnea ^LU ; Rosemann, Nils W. ^LU ; Losada, Iria Bolaño ^LU ; Persson, Samuel ^LU ; Goriya, Yogesh ^LU ; Fan, Hao ^LU ; Gordivska, Olga ^LU ; Wärnmark, Kenneth ^LU ; Uhlig, Jens ^LU and Chábera, Pavel ^LU , et al. (2024) In Coordination Chemistry Reviews 506.
- Contribution to journal › Scientific review
Mark A multi-scale numerical approach to study monoclonal antibodies in solution
Polimeni, Marco ^LU ; Zaccarelli, Emanuela ; Gulotta, Alessandro ^LU ; Lund, Mikael ^LU ; Stradner, Anna ^LU and Schurtenberger, Peter ^LU (2024) In APL Bioengineering 8(1).
- Contribution to journal › Article
Mark Hydrogen bonding in glassy trehalose-water system : Insights from density functional theory and molecular dynamics simulations
Kocherbitov, Vitaly ^LU ; Music, Denis and Veryazov, Valera ^LU (2024) In Journal of Chemical Physics 160(8).
- Contribution to journal › Article
Mark Modeling Photofunctional Transition Metal Complexes
Bolano Losada, Iria ^LU (2024)
- Thesis › Doctoral thesis (compilation)
Mark How Rigidity and Conjugation of Bidentate Ligands Affect the Geometry and Photophysics of Iron N-Heterocyclic Complexes : A Comparative Study
Prakash, Om ^LU ; Chábera, Pavel ^LU ; Kaul, Nidhi ; Hlynsson, Valtýr F. ^LU ; Rosemann, Nils W. ^LU ; Losada, Iria Bolaño ^LU ; Hoang Hai, Yen Tran ^LU ; Huang, Ping ; Bendix, Jesper and Ericsson, Tore , et al. (2024) In Inorganic Chemistry 63(10). p.4461-4473
- Contribution to journal › Article
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
Losada, Iria Bolaño ^LU and Persson, Petter ^LU (2024) In Journal of Chemical Physics 160(7).
- Contribution to journal › Article

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