Computational Chemistry

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2020
Mark HERFD-XANES probes of electronic structures of iron^II/IIIcarbene complexes
Guo, Meiyuan ^LU ; Prakash, Om ^LU ; Fan, Hao ^LU ; de Groot, Lisa H.M. ^LU ; Hlynsson, Valtýr Freyr ^LU ; Kaufhold, Simon ^LU ; Gordivska, Olga ^LU ; Velásquez, Nicolás ^LU ; Chabera, Pavel ^LU and Glatzel, Pieter , et al. (2020) In Physical Chemistry Chemical Physics 22(16). p.9067-9073
- Contribution to journal › Article
Mark The extracellular juncture domains in the intimin passenger adopt a constitutively extended conformation inducing restraints to its sphere of action
Weikum, Julia ; Kulakova, Alina ; Tesei, Giulio ^LU ; Yoshimoto, Shogo ; Jægerum, Line Vejby ; Schütz, Monika ; Hori, Katsutoshi ; Skepö, Marie ^LU ; Harris, Pernille and Leo, Jack C. , et al. (2020) In Scientific Reports 10(1).
- Contribution to journal › Article
Mark Importance of the iron–sulfur component and of the siroheme modification in the resting state of sulfite reductase
Brânzanic, Adrian M.V. ; Ryde, Ulf ^LU and Silaghi-Dumitrescu, Radu (2020) In Journal of Inorganic Biochemistry 203.
- Contribution to journal › Article
Mark Hot Branching Dynamics in a Light-Harvesting Iron Carbene Complex Revealed by Ultrafast X-ray Emission Spectroscopy
Tatsuno, Hideyuki ^LU ; Kjær, Kasper S. ^LU ; Kunnus, Kristjan ; Harlang, Tobias C.B. ^LU ; Timm, Cornelia ; Guo, Meiyuan ; Chàbera, Pavel ^LU ; Fredin, Lisa A. ^LU ; Hartsock, Robert W. and Reinhard, Marco E. , et al. (2020) In Angewandte Chemie - International Edition 59(1). p.364-372
- Contribution to journal › Article
Mark A numerical study of partitioned fluid-structure interaction applied to a cantilever in incompressible turbulent flow
Lorentzon, Johan ^LU and Revstedt, Johan ^LU (2020) In International Journal for Numerical Methods in Engineering 121(5). p.806-827
- Contribution to journal › Article
Mark Non-monotonic phase behaviour of a mixture containing non-adsorbing particles and polymerising rod-like molecules
Thiyam, Priyadarshini ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2020) In Journal of Colloid and Interface Science 568. p.25-35
- Contribution to journal › Article
Mark Tuning the selective permeability of polydisperse polymer networks
Kim, Won Kyu ; Chudoba, Richard ^LU ; Milster, Sebastian ; Roa, Rafael ; Kanduč, Matej and Dzubiella, Joachim (2020) In Soft Matter 16(35). p.8144-8154
- Contribution to journal › Article
Mark A Stable Homoleptic Organometallic Iron(IV) Complex
Prakash, Om ^LU ; Chábera, Pavel ^LU ; Rosemann, Nils W. ^LU ; Huang, Ping ^LU ; Häggström, Lennart ; Ericsson, Tore ; Strand, Daniel ^LU ; Persson, Petter ^LU ; Bendix, Jesper and Lomoth, Reiner , et al. (2020) In Chemistry - A European Journal 26(56). p.12728-12732
- Contribution to journal › Article
Mark Strong-coupling theory of counterions with hard cores between symmetrically charged walls
Šamaj, Ladislav ; Trulsson, Martin ^LU and Trizac, Emmanuel (2020) In Physical Review E 102(4).
- Contribution to journal › Article
Mark Accuracy and precision of statistical descriptors obtained from multidimensional diffusion signal inversion algorithms
Reymbaut, Alexis ^LU ; Mezzani, Paolo ; de Almeida Martins, João P. ^LU and Topgaard, Daniel ^LU (2020) In NMR in Biomedicine 33(12).
- Contribution to journal › Article

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