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2024
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
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 ^LU ; Bendix, Jesper and Ericsson, Tore , et al. (2024) In Inorganic Chemistry 63(10). p.4461-4473
- Contribution to journal › Article
Mark Convergence criteria for single-step free-energy calculations : the relation between the Π bias measure and the sample variance
Wang, Meiting ^LU ; Mei, Ye and Ryde, Ulf ^LU (2024) In Chemical Science 15(23). p.8786-8799
- Contribution to journal › Article
Mark Influence of Selective Carbon 1s Excitation on Auger–Meitner Decay in the ESCA Molecule
Fouda, Adam ; Lindblom, Ville ^LU ; Southworth, Stephen H. ; Doumy, Gilles ; Ho, Phay ; Young, Linda ; Cheng, Lan and Sorensen, Stacey L ^LU (2024) In Journal of Physical Chemistry Letters 15(16). p.4286-4293
- Contribution to journal › Article
Mark QM/MM Studies of Nitrogenase
Jiang, Hao ^LU (2024)
- Thesis › Doctoral thesis (compilation)
Mark An efficient method to establish electrostatic screening lengths of restricted primitive model electrolytes
Forsman, Jan ^LU ; Ribar, David ^LU and Woodward, Clifford E. (2024) In Physical Chemistry Chemical Physics 26(29). p.19921-19933
- Contribution to journal › Article
Mark Putative reaction mechanism of nitrogenase with a half-dissociated S2B ligand
Jiang, Hao ^LU and Ryde, Ulf ^LU (2024) In Dalton Transactions 53(27). p.11500-11513
- Contribution to journal › Article
Mark Lipid shape and packing are key for optimal design of pH-sensitive mRNA lipid nanoparticles
Tesei, Giulio ^LU ; Hsiao, Ya Wen ; Dabkowska, Aleksandra ; Grõnberg, Gunnar ; Arteta, Marianna Yanez ; Ulkoski, David ; Bray, David J. ; Trulsson, Martin ^LU ; Ulander, Johan and Lund, Mikael ^LU , et al. (2024) In Proceedings of the National Academy of Sciences of the United States of America 121(2).
- Contribution to journal › Article
Mark Tailoring the Photophysical Properties of a Homoleptic Iron(II) Tetra N-Heterocyclic Carbene Complex by Attaching an Imidazolium Group to the (C^∧N^∧C) Pincer Ligand─A Comparative Study
Prakash, Om ^LU ; Lindh, Linnea ^LU ; Gupta, Arvind Kumar ^LU ; Hoang Hai, Yen Tran ^LU ; Kaul, Nidhi ; Chábera, Pavel ^LU ; Lindgren, Fredrik ; Ericsson, Tore ; Häggström, Lennart and Strand, Daniel ^LU , et al. (2024) In Inorganic Chemistry 63(6). p.2909-2918
- Contribution to journal › Article
Mark Perspective: multi-configurational methods in bio-inorganic chemistry
Jørgensen, Frederik K. ; Delcey, Mickaël G. ^LU and Hedegård, Erik D. ^LU (2024) In Physical Chemistry Chemical Physics 26(25). p.17443-17455
- Contribution to journal › Scientific review

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