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2015
Mark Temperature-Dependent Optical Properties of Flexible Donor - Acceptor Polymers
Hedström, Svante ^LU ; Henriksson, Patrik ; Wang, Ergang ; Andersson, Mats R. and Persson, Petter ^LU (2015) In Journal of Physical Chemistry C 119(12). p.6453-6463
- Contribution to journal › Article
Mark Coarse-Grained Models of Ionic Solutions
Szparaga, Ryan ^LU (2015)
- Thesis › Doctoral thesis (compilation)
Mark Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications
Hedström, Svante ^LU (2015)
- Thesis › Doctoral thesis (compilation)
Mark Assessment of Computational Methods for Ligand Binding
Mikulskis, Paulius ^LU (2015)
- Thesis › Doctoral thesis (compilation)
Mark Classical Density Functional Theory of Ionic Solutions
Forsman, Jan ^LU ; Woodward, Clifford and Szparaga, Ryan ^LU (2015) p.17-38
- Chapter in Book/Report/Conference proceeding › Book chapter
2014
Mark Orbital Topology Controlling Charge Injection in Quantum-Dot-Sensitized Solar Cells
Hansen, Thorsten ^LU ; Zidek, Karel ^LU ; Zheng, Kaibo ^LU ; Qenawy, Mohamed ^LU ; Chabera, Pavel ^LU ; Persson, Petter ^LU and Pullerits, Tönu ^LU (2014) In The Journal of Physical Chemistry Letters 5(7). p.1157-1162
- Contribution to journal › Article
Mark Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics
Hsiao, Ya-Wen and Söderhjelm, Pär ^LU (2014) In Journal of Computer-Aided Molecular Design 28(4). p.443-454
- Contribution to journal › Article
Mark The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Oksanen, Esko ; Blakeley, Matthew P ; El-Hajji, Mohamed ; Ryde, Ulf ^LU and Budayova-Spano, Monika (2014) In PLoS ONE 9(1).
- Contribution to journal › Article
Mark Material Dependence of Water Interactions with Metal Oxide Nanoparticles: TiO2, SiO2, GeO2, and SnO2
Galynska, Marta ^LU and Persson, Petter ^LU (2014) In Advances in Quantum Chemistry 69. p.303-332
- Contribution to journal › Scientific review
Mark Theoretical Fe-57 Mossbauer spectroscopy: isomer shifts of [Fe]- hydrogenase intermediates
Hedegard, Erik Donovan ; Knecht, Stefan ; Ryde, Ulf ^LU ; Kongsted, Jacob and Saue, Trond (2014) In Physical Chemistry Chemical Physics 16(10). p.4853-4863
- Contribution to journal › Article

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