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2022
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
2021
Mark Electrostatics Drive Oligomerization and Aggregation of Human Interferon Alpha-2a
Pohl, Christin ^LU ; Polimeni, Marco ^LU ; Indrakumar, Sowmya ; Streicher, Werner ; Peters, Günther H.J. ; Nørgaard, Allan ; Lund, Mikael ^LU and Harris, Pernille (2021) In Journal of Physical Chemistry B 125(50). p.13657-13669
- Contribution to journal › Article
Mark Virtual cell model for osmotic pressure calculation of charged biomolecules
Polimeni, Marco ^LU ; Pasquier, Coralie ^LU and Lund, Mikael ^LU (2021) In Journal of Chemical Physics 155(19).
- Contribution to journal › Article
Mark Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps
Kelpšas, Vinardas ^LU ; Caldararu, Octav ^LU ; Blakeley, Matthew P. ; Coquelle, Nicolas ; Wierenga, Rikkert K. ; Ryde, Ulf ^LU ; von Wachenfeldt, Claes ^LU and Oksanen, Esko ^LU (2021) In IUCrJ 8(Pt 4). p.633-643
- Contribution to journal › Article
Mark Norske bjørnebær 6. Sørlandsbjørnebær Rubus ”firmus”
Arnstein Lye, Kåre and Ryde, Ulf ^LU (2021) In Blyttia: norsk botanisk forenings tidsskrift 79(1). p.39-45
- Contribution to journal › Article
Mark Can the results of quantum refinement be improved with a continuum-solvation model?
Bergmann, Justin ^LU ; Oksanen, Esko ^LU and Ryde, Ulf ^LU (2021) In Acta Crystallographica. Section B: Structural Science 77(6). p.906-918
- Contribution to journal › Article
Mark Overcharging and Free Energy Barriers for Equally Charged Surfaces Immersed in Salt Solutions
Stenberg, Samuel ^LU and Forsman, Jan ^LU (2021) In Langmuir 37(49). p.14360-14368
- Contribution to journal › Article
Mark Dye-sensitized solar cells based on Fe N-heterocyclic carbene photosensitizers with improved rod-like push-pull functionality
Lindh, Linnea ^LU ; Gordivska, Olga ^LU ; Persson, Samuel ^LU ; Michaels, Hannes ; Fan, Hao ^LU ; Chábera, Pavel ^LU ; Rosemann, Nils W. ^LU ; Gupta, Arvind Kumar ^LU ; Benesperi, Iacopo and Uhlig, Jens ^LU , et al. (2021) In Chemical Science 12(48). p.16035-16053
- Contribution to journal › Article
Mark Engineering the Oxidative Potency of Non-Heme Iron(IV) Oxo Complexes in Water for C-H Oxidation by a cis Donor and Variation of the Second Coordination Sphere
Wegeberg, Christina ; Skavenborg, Mathias L. ; Liberato, Andrea ; McPherson, James N. ; Browne, Wesley R. ; Hedegård, Erik D. ^LU and McKenzie, Christine J. (2021) In Inorganic Chemistry 60(3). p.1975-1984
- Contribution to journal › Article
Mark QM/MM study of the binding of H₂ to MoCu CO dehydrogenase : development and applications of improved H₂ van der Waals parameters
Rovaletti, Anna ; Greco, Claudio ^LU and Ryde, Ulf ^LU (2021) In Journal of Molecular Modeling 27(3).
- Contribution to journal › Article

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