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2022
Mark Borylation in the Second Coordination Sphere of Fe^IICyanido Complexes and Its Impact on Their Electronic Structures and Excited-State Dynamics
Schmid, Lucius ; Chábera, Pavel ^LU ; Rüter, Isabelle ; Prescimone, Alessandro ; Meyer, Franc ; Yartsev, Arkady ^LU ; Persson, Petter ^LU and Wenger, Oliver S. (2022) In Inorganic Chemistry 61(40). p.15853-15863
- Contribution to journal › Article
Mark Photophysical Integrity of the Iron(III) Scorpionate Framework in Iron(III)-NHC Complexes with Long-Lived ²LMCT Excited States
Prakash, Om ^LU ; Lindh, Linnea ^LU ; Kaul, Nidhi ; Rosemann, Nils W. ^LU ; Losada, Iria Bolaño ^LU ; Johnson, Catherine ; Chábera, Pavel ^LU ; Ilic, Aleksandra ^LU ; Schwarz, Jesper ^LU and Gupta, Arvind Kumar ^LU , et al. (2022) In Inorganic Chemistry 61(44). p.17515-17526
- Contribution to journal › Article
Mark Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation
Xu, Yongtao ; Fan, Baoyi ; Gao, Yunlong ; Chen, Yifan ; Han, Di ; Lu, Jiarui ; Liu, Taigang ; Gao, Qinghe ; Zhang, John Zenghui and Wang, Meiting ^LU (2022) In Molecules 27(23).
- Contribution to journal › Article
Mark Polymer-Mediated Interactions and Phase Behaviour of Polymer-Particle Dispersions
Haddadi, Sara ^LU (2022)
- Thesis › Doctoral thesis (compilation)
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 Polarizable Embedding Complex Polarization Propagator in Four- and Two-Component Frameworks
Creutzberg, Joel ^LU and Hedegård, Erik D. ^LU (2022) In Journal of Chemical Theory and Computation 18(6). p.3671-3686
- Contribution to journal › Article
Mark Electronic polarization effects on membrane translocation of anti-cancer drugs
Najla Hosseini, Atiyeh ; Lund, Mikael ^LU and Ejtehadi, Mohammad Reza (2022) In Physical Chemistry Chemical Physics 24(20). p.12281-12292
- Contribution to journal › Article
Mark Boundary-Monte Carlo Method for Neutral and Charged Confined Fluids
Vo, Phuong ; Forsman, Jan ^LU and Woodward, Clifford E. (2022) In Journal of Chemical Theory and Computation 18(6). p.3766-3780
- Contribution to journal › Article
Mark Computationally enhanced X-ray diffraction analysis of a gold(III) complex interacting with the human telomeric DNA G-quadruplex. Unravelling non-unique ligand positioning
Cirri, Damiano ; Bazzicalupi, Carla ; Ryde, Ulf ^LU ; Bergmann, Justin ^LU ; Binacchi, Francesca ; Nocentini, Alessio ; Pratesi, Alessandro ; Gratteri, Paola and Messori, Luigi (2022) In International Journal of Biological Macromolecules 211. p.506-513
- Contribution to journal › Article

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