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2024
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 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 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 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 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 Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM
Jiang, Hao ^LU and Ryde, Ulf ^LU (2024) In Inorganic Chemistry 63(34). p.15951-15963
- Contribution to journal › Article
Mark Cluster Formation Induced by Local Dielectric Saturation in Restricted Primitive Model Electrolytes
Ribar, David ^LU ; Woodward, Clifford E. ; Nordholm, Sture and Forsman, Jan ^LU (2024) In The Journal of Physical Chemistry Letters 15(32). p.8326-8333
- Contribution to journal › Article
Mark Using Iron L-Edge and Nitrogen K-Edge X-ray Absorption Spectroscopy to Improve the Understanding of the Electronic Structure of Iron Carbene Complexes
Guo, Meiyuan ^LU ; Temperton, Robert ^LU ; D’Acunto, Giulio ; Johansson, Niclas ^LU ; Jones, Rosemary ^LU ; Handrup, Karsten ^LU ; Ringelband, Sven ^LU ; Prakash, Om ^LU ; Fan, Hao ^LU and de Groot, Lisa H. M. ^LU , et al. (2024) In Inorganic Chemistry 63(27). p.12457-12468
- Contribution to journal › Article
Mark Unraveling the Binding Mode of Cyclic Adenosine–Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations
Wang, Meiting ^LU ; Fan, Baoyi ; Lu, Wenfeng ; Ryde, Ulf ^LU ; Chang, Yuxiao ; Han, Di ; Lu, Jiarui ; Liu, Taigang ; Gao, Qinghe and Chen, Changpo , et al. (2024) In Molecules 29(11).
- Contribution to journal › Article

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