Theoretical Chemistry

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2022
Mark Combining crystallography with quantum mechanics
Bergmann, Justin ^LU ; Oksanen, Esko ^LU and Ryde, Ulf ^LU (2022) In Current Opinion in Structural Biology 72. p.18-26
- Contribution to journal › Scientific review
Mark Conformation- and phosphorylation-dependent electron tunnelling across self-assembled monolayers of tau peptides
Ashkarran, Ali Akbar ; Hosseini, Atiyeh ^LU ; Loloee, Reza ; Perry, George ; Lee, Ki Bum ; Lund, Mikael ^LU ; Ejtehadi, Mohammad Reza and Mahmoudi, Morteza (2022) In Journal of Colloid and Interface Science 606. p.2038-2050
- Contribution to journal › Article
Mark Bone mineral : A trojan horse for bone cancers. Efficient mitochondria targeted delivery and tumor eradication with nano hydroxyapatite containing doxorubicin
Liu, Yang ^LU ; Nadeem, Aftab ^LU ; Sebastian, Sujeesh ^LU ; Olsson, Martin A. ^LU ; Wai, Sun N. ; Styring, Emelie ^LU ; Engellau, Jacob ^LU ; Isaksson, Hanna ^LU ; Tägil, Magnus ^LU and Lidgren, Lars ^LU , et al. (2022) In Materials Today Bio 14.
- Contribution to journal › Article
Mark Benchmarking ANO-R basis set for multiconfigurational calculations
Larsson, E D ^LU ; Zobel, J P and Veryazov, V ^LU (2022) In Electronic Structure 4(1).
- Contribution to journal › Article
Mark Modeling of inorganic ions in aqueous solution
Aspelin, Vidar ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Mark Counterintuitive Electrostatics upon Metal Ion Coordination to a Receptor with Two Homotopic Binding Sites
Aspelin, Vidar ^LU ; Lidskog, Anna ^LU ; Solano Arribas, Carlos ; Hervø-Hansen, Stefan ^LU ; Stenqvist, Björn ^LU ; Chudoba, Richard ^LU ; Wärnmark, Kenneth ^LU and Lund, Mikael ^LU (2022) In Journal of the American Chemical Society 144(7). p.2921-2932
- Contribution to journal › Article
Mark Interfacial behaviours of ionic fluids : Theory and simulations
Stenberg, Samuel ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Mark Computational protein crystallography : How to get the most out of your data
Bergmann, Justin ^LU (2022)
- Thesis › Doctoral thesis (compilation)
Mark A modified Jarzynski free-energy estimator to eliminate non-conservative forces and its application in nanoparticle-membrane interactions
Hosseini, Atiyeh Najla ; Lund, Mikael ^LU and Ejtehadi, Mohammad Reza (2022) In Physical Chemistry Chemical Physics 24(6). p.3647-3654
- Contribution to journal › Article
Mark Anion-cation contrast of small molecule solvation in salt solutions
Hervø-Hansen, Stefan ^LU ; Heyda, Jan ; Lund, Mikael ^LU and Matubayasi, Nobuyuki (2022) In Physical Chemistry Chemical Physics 24(5). p.3238-3249
- Contribution to journal › Article

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