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2024
Mark Reaction mechanism of pyridine radicals with molecular oxygen : A theoretical study
Savchenkova, A. S. ; Chechet, I. V. ; Matveev, S. G. ; Konnov, A. A. ^LU and Mebel, A. M. (2024) In Computational and Theoretical Chemistry 1241.
- Contribution to journal › Article
Mark H₂ formation from the E₂–E₄ states of nitrogenase
Jiang, Hao ^LU and Ryde, Ulf ^LU (2024) In Physical Chemistry Chemical Physics 26(2). p.1364-1375
- Contribution to journal › Article
Mark Variational Pair-Density Functional Theory : Dealing with Strong Correlation at the Protein Scale
Scott, Mikael ^LU ; Rodrigues, Gabriel L.S. ^LU ; Li, Xin and Delcey, Mickael G. ^LU (2024) In Journal of Chemical Theory and Computation 20(6).
- Contribution to journal › Article
Mark Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation
Bakker, Michael J. ^LU ; Sørensen, Henrik V. ^LU and Skepö, Marie ^LU (2024) In Journal of Chemical Theory and Computation 20(3). p.1423-1433
- Contribution to journal › Article
Mark Rubus wahlbergii and related species in Sweden
Zhou, Mingyue ; Montes, Melanie S. ; Mattsson, Tore ; Burén, Tomas ; Hedrén, Mikael ^LU and Ryde, Ulf ^LU (2024) In Nordic Journal of Botany 2024(9).
- Contribution to journal › Article
Mark Theoretical insight into key reactions in DME/NH₃ co-firing : A detailed kinetic study and implications for rational combustion modelling
Xie, Jibiao ; Song, Jinou ; Konnov, Alexander A. ^LU ; Li, Zhijun and He, Yongdi (2024) In Proceedings of the Combustion Institute 40(1-4).
- Contribution to journal › Article
Mark Perspective: multi-configurational methods in bio-inorganic chemistry
Jørgensen, Frederik K. ; Delcey, Mickaël G. ^LU and Hedegård, Erik D. ^LU (2024) In Physical Chemistry Chemical Physics 26(25). p.17443-17455
- Contribution to journal › Scientific review
2023
Mark Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations
Jiang, Hao ^LU ; Lundgren, Kristoffer j. m. ^LU and Ryde, Ulf ^LU (2023) In Inorganic Chemistry 62(48). p.19433-19445
- Contribution to journal › Article
Mark First-Row d⁶ Metal Complex Enables Photon Upconversion and Initiates Blue Light-Dependent Polymerization with Red Light
Wang, Cui ; Wegeberg, Christina ^LU and Wenger, Oliver S. (2023) In Angewandte Chemie - International Edition 62(43).
- Contribution to journal › Article
Mark A numerical study on orientational arrest and size segregation of dense particle flows using discrete element modeling
Yousefian, Zakiyeh ^LU (2023)
- Thesis › Licentiate thesis

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