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2023
Mark Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase
Jiang, Hao ^LU ; Svensson, Oskar K. G. ^LU and Ryde, Ulf ^LU (2023) In Molecules 28(1).
- Contribution to journal › Article
Mark Histidine oxidation in lytic polysaccharide monooxygenase
Torbjörnsson, Magne ^LU ; Hagemann, Marlisa M. ^LU ; Ryde, Ulf ^LU and Hedegård, Erik Donovan ^LU (2023) In Journal of Biological Inorganic Chemistry
- Contribution to journal › Article
Mark A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
Creutzberg, Joel ^LU and Hedegård, Erik Donovan ^LU (2023) In Physical Chemistry Chemical Physics
- Contribution to journal › Article
Mark Computational Studies of Metalloenzymes
Torbjörnsson, Magne ^LU (2023)
- Thesis › Doctoral thesis (compilation)
2022
Mark Interfacial behaviours of ionic fluids : Theory and simulations
Stenberg, Samuel ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Mark Computational protein crystallography : How to get the most out of your data
Bergmann, Justin ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Mark Polymer-Mediated Interactions and Phase Behaviour of Polymer-Particle Dispersions
Haddadi, Sara ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Mark Benchmarking ANO-R basis set for multiconfigurational calculations
Larsson, E D ^LU ; Zobel, J P ^LU and Veryazov, V ^LU (2022) In Electronic Structure 4(1).
- 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 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

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