Physical and theoretical chemistry

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2022
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
Mark Mechanochemical synthesis of stable, quantum-confined CsPbBr₃perovskite nanocrystals with blue-green emission and high PLQY
Goyal, A. ; Andrioti, E. ; Tang, Y. ^LU ; Zhao, Q. ; Zheng, K. ^LU ; Newell, K. D. and Schall, P. (2022) In JPhys Materials 5(2).
- Contribution to journal › Article
Mark Structure and anisotropic dynamics of stimuli responsive colloidal ellipsoids at the nearest neighbor length scale
Pal, Antara ^LU ; Kamal, Md Arif ^LU and Schurtenberger, Peter ^LU (2022) In Journal of Colloid and Interface Science 621. p.352-359
- Contribution to journal › Article
Mark Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins
Jafari, Sonia ; Tavares Santos, Yakini A. ; Bergmann, Justin ^LU ; Irani, Mehdi ^LU and Ryde, Ulf ^LU (2022) In Inorganic Chemistry 61(16). p.5991-6007
- Contribution to journal › Article
Mark Sofi K.C. Elmroth : 1962-2022
Elding, Lars Ivar ^LU ; Wendt, Ola ^LU and Alfredsson, Viveka ^LU (2022) In Årsbok / Kungliga Fysiografiska sällskapet i Lund: akademi för naturvetenskap, medicin och teknik 2021-2022. p.98-100
- Chapter in Book/Report/Conference proceeding › Book chapter
Mark The effects of glycols on molecular mobility, structure, and permeability in stratum corneum
Kis, Nikolett ^LU ; Gunnarsson, Maria ^LU ; Berkó, Szilvia and Sparr, Emma ^LU (2022) In Journal of Controlled Release 343. p.755-764
- Contribution to journal › Article
Mark Anisotropic diffusion of ellipsoidal tracers in microswimmer suspensions
Nordanger, Henrik ^LU ; Morozov, Alexander and Stenhammar, Joakim ^LU (2022) In Physical Review Fluids 7(1).
- Contribution to journal › Article
Mark Benchmarking ANO-R basis set for multiconfigurational calculations
Larsson, E D ^LU ; Zobel, J P ^LU and Veryazov, V ^LU (2022) In Electronic Structure 4(1).
- Contribution to journal › Article
Mark Interaction of nanoparticles with lipid films : The role of symmetry and shape anisotropy
Caselli, Lucrezia ; Ridolfi, Andrea ^LU ; Mangiapia, Gaetano ; Maltoni, Pierfrancesco ; Moulin, Jean François ; Berti, Debora ; Steinke, Nina Juliane ; Gustafsson, Emil ; Nylander, Tommy ^LU and Montis, Costanza (2022) In Physical Chemistry Chemical Physics 24(5). p.2762-2776
- Contribution to journal › Article

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