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2017
Mark Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)₂(CN)₂]
Kjær, Kasper S. ^LU ; Zhang, Wenkai ; Alonso-Mori, Roberto ; Bergmann, Uwe ; Chollet, Matthieu ; Hadt, Ryan G. ; Hartsock, Robert W. ; Harlang, Tobias ^LU ; Kroll, Thomas and Kubiček, Katharina , et al. (2017) In Structural Dynamics 4(4).
- Contribution to journal › Article
Mark H₂ binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
Dong, Geng ^LU ; Phung, Quan Manh ; Hallaert, Simon D. ; Pierloot, Kristine and Ryde, Ulf ^LU (2017) In Physical Chemistry Chemical Physics 19(16). p.10590-10601
- Contribution to journal › Article
Mark Relativistic Polarizable Embedding
Hedegård, Erik Donovan ^LU ; Bast, Radovan ; Kongsted, Jacob ^LU ; Olsen, Jógvan Magnus Haugaard and Jensen, Hans Jørgen Aagaard (2017) In Journal of Chemical Theory and Computation 13(6). p.2870-2880
- Contribution to journal › Article
Mark Using electric fields for pulse compression and group-velocity control
Li, Qian ^LU ; Kinos, Adam ^LU ; Thuresson, Axel ^LU ; Rippe, Lars ^LU and Kröll, Stefan ^LU (2017) In Physical Review A 95(3).
- Contribution to journal › Article
Mark Anomalous Protein-Protein Interactions in Multivalent Salt Solution
Pasquier, Coralie ^LU ; Vazdar, Mario ; Forsman, Jan ^LU ; Jungwirth, Pavel and Lund, Mikael ^LU (2017) In Journal of Physical Chemistry B 121(14). p.3000-3006
- Contribution to journal › Article
Mark Temperature Response of Charged Colloidal Particles by Mixing Counterions Utilizing Ca²⁺/Na⁺ Montmorillonite as Model System
Thuresson, Axel ^LU ; Jansson, Maria ^LU ; Plivelic, Tomás S. ^LU and Skepö, Marie ^LU (2017) In Journal of Physical Chemistry C 121(14). p.7951-7958
- Contribution to journal › Article
Mark Flocculated Laponite-PEG/PEO Dispersions with Multivalent Salt : A SAXS, Cryo-TEM, and Computer Simulation Study
Thuresson, Axel ^LU ; Segad, M. ^LU ; Plivelic, Tomás S. ^LU and Skepö, Marie ^LU (2017) In Journal of Physical Chemistry C 121(13). p.7387-7396
- Contribution to journal › Article
Mark Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation
Ericson, Fredric ^LU ; Honarfar, Alireza ; Prakash, Om ^LU ; Tatsuno, Hideyuki ^LU ; Fredin, Lisa A. ^LU ; Handrup, Karsten ^LU ; Chabera, Pavel ^LU ; Gordivska, Olga ^LU ; Kjær, Kasper S. ^LU and Liu, Yizhu ^LU , et al. (2017) In Chemical Physics Letters 683. p.559-566
- Contribution to journal › Article
Mark Protonation States of Homocitrate and Nearby Residues in Nitrogenase Studied by Computational Methods and Quantum Refinement
Cao, Lili ^LU ; Caldararu, Octav ^LU and Ryde, Ulf ^LU (2017) In Journal of Physical Chemistry B 121(35). p.8242-8262
- Contribution to journal › Article
Mark Interfacial Structures of Trihexyltetradecylphosphonium-bis(mandelato)borate Ionic Liquid Confined between Gold Electrodes
Wang, Yong-Lei ; Golets, Mikhail ; Li, Bin ^LU ; Sarman, Sten and Laaksonen, Aatto (2017) In ACS Applied Materials and Interfaces 9(5). p.4976-4987
- Contribution to journal › Article

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