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2024
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
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
Variational Pair-Density Functional Theory : Dealing with Strong Correlation at the Protein Scale Scott, Mikael ^LU ; Rodrigues, Gabriel L.S. ^LU ; Li, Xin and Delcey, Mickael G. ^LU (2024) In Journal of Chemical Theory and Computation 20(6).
- Contribution to journal › Article
Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation Bakker, Michael J. ^LU ; Sørensen, Henrik V. ^LU and Skepö, Marie ^LU (2024) In Journal of Chemical Theory and Computation 20(3). p.1423-1433
- Contribution to journal › Article
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
QM/MM Studies of Nitrogenase Jiang, Hao ^LU (2024)
- Thesis › Doctoral thesis (compilation)
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
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
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
- Contribution to journal › Article
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

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