Computational Chemistry

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2023
Mark Ground State Configurations and Metastable Phases of Charged Linear Rods
Sewring, Tor ^LU and Trulsson, Martin ^LU (2023) In ACS Omega 8(6). p.6040-6051
- Contribution to journal › Article
Mark Simulations of phase transitions and capacitance, of simple ionic fluids in porous electrodes
Stenberg, Samuel ^LU ; Vo, Phuong ; Woodward, Clifford E. and Forsman, Jan ^LU (2023) In Electrochimica Acta 437.
- Contribution to journal › Article
Mark A method to capture the large relativistic and solvent effects on the UV-vis spectra of photo-activated metal complexes
Creutzberg, Joel ^LU and Hedegård, Erik Donovan ^LU (2023) In Physical Chemistry Chemical Physics 25(8). p.6153-6163
- Contribution to journal › Article
Mark Computational Studies of Metalloenzymes
Torbjörnsson, Magne ^LU (2023)
- Thesis › Doctoral thesis (compilation)
Mark Histidine oxidation in lytic polysaccharide monooxygenase
Torbjörnsson, Magne ^LU ; Hagemann, Marlisa M. ^LU ; Ryde, Ulf ^LU and Hedegård, Erik Donovan ^LU (2023) In Journal of Biological Inorganic Chemistry 28(3). p.317-328
- Contribution to journal › Article
Mark From dilute to concentrated solutions of intrinsically disordered proteins : Interpretation and analysis of collected data
Lenton, Samuel ^LU ; Fagerberg, Eric ^LU ; Tully, Mark and Skepö, Marie ^LU (2023) In Methods in Enzymology 678. p.299-330
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark Anisotropic protein-protein interactions in dilute and concentrated solutions
Pasquier, Coralie ^LU ; Midtgaard, Søren Roi ; Polimeni, Marco ^LU ; Jørgensen, Christian Isak ; Arleth, Lise ; Callisen, Thomas H. and Lund, Mikael ^LU (2023) In Journal of Colloid and Interface Science 629. p.794-804
- Contribution to journal › Article
Mark A study of hydroelastic fluid-structure interaction with application to immersed cantilevers
Lorentzon, Johan ^LU (2023)
- Thesis › Doctoral thesis (compilation)
Mark Direct Determination of the Rate of Intersystem Crossing in a Near-IR Luminescent Cr(III) Triazolyl Complex
Jones, Robert W. ; Auty, Alexander J. ; Wu, Guanzhi ; Persson, Petter ^LU ; Appleby, Martin V. ; Chekulaev, Dimitri ; Rice, Craig R. ; Weinstein, Julia A. ; Elliott, Paul I.P. and Scattergood, Paul A. (2023) In Journal of the American Chemical Society 145(22). p.12081-12092
- Contribution to journal › Article
Mark Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations
Jiang, Hao ^LU ; Lundgren, Kristoffer j. m. ^LU and Ryde, Ulf ^LU (2023) In Inorganic Chemistry 62(48). p.19433-19445
- Contribution to journal › Article

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