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2017
Mark Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution
Olsen, Jógvan Magnus Haugaard and Hedegård, Erik Donovan ^LU (2017) In Physical Chemistry Chemical Physics 19(24). p.15870-15875
- Contribution to journal › Article
Mark Targeting the reactive intermediate in polysaccharide monooxygenases
Hedegård, Erik ^LU and Ryde, Ulf ^LU (2017) In Journal of Biological Inorganic Chemistry
- Contribution to journal › Article
Mark Multiscale Modelling of Lytic Polysaccharide Monooxygenases
Hedegård, Erik ^LU and Ryde, Ulf ^LU (2017) In ACS Omega 2. p.536-545
- Contribution to journal › Article
Mark Molecular Dynamic Simulations of Ionic Liquid's Structural Variations from Three to One Layers inside a Series of Slit and Cylindrical Nanopores
Ma, Ke ; Wang, Xuewei ; Forsman, Jan ^LU and Woodward, Clifford E. (2017) In Journal of Physical Chemistry C 121(25). p.13539-13548
- Contribution to journal › Article
Mark Steering patchy particles using multivalent electrolytes
Abrikossov, Alexei ^LU ; Stenqvist, Björn ^LU and Lund, Mikael ^LU (2017) In Soft Matter 13(26). p.4591-4597
- 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 Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
Jephthah, Stephanie ^LU ; Henriques, Joao ^LU ; Cragnell, Carolina ^LU ; Puri, Sumant ; Edgerton, Mira and Skepö, Marie ^LU (2017) In Journal of Chemical Information and Modeling 57(6). p.1330-1341
- Contribution to journal › Article
Mark On the dissolution of cellulose in tetrabutylammonium acetate/dimethyl sulfoxide : a frustrated solvent
Idström, Alexander ; Gentile, Luigi ^LU ; Gubitosi, Marta ^LU ; Olsson, Carina ; Stenqvist, Björn ^LU ; Lund, Mikael ^LU ; Bergquist, Karl Erik ^LU ; Olsson, Ulf ^LU ; Köhnke, Tobias and Bialik, Erik ^LU (2017) In Cellulose 24(9). p.3645-3657
- Contribution to journal › Article
Mark Comparison of QM/MM Methods To Obtain Ligand-Binding Free Energies
Olsson, Martin A. ^LU and Ryde, Ulf ^LU (2017) In Journal of Chemical Theory and Computation 13(5). p.2245-2253
- Contribution to journal › Article

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