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2024
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
Mark Putative reaction mechanism of nitrogenase with a half-dissociated S2B ligand
Jiang, Hao ^LU and Ryde, Ulf ^LU (2024) In Dalton Transactions 53(27). p.11500-11513
- Contribution to journal › Article
Mark CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase – Analogies and Differences to the Native Enzyme
Rovaletti, Anna ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf ^LU and Greco, Claudio (2024) In ChemPhysChem 25(13).
- Contribution to journal › Article
Mark Quantum refinement in real and reciprocal space using the Phenix and ORCA software
Lundgren, Kristoffer J.M. ^LU ; Caldararu, Octav ^LU ; Oksanen, Esko and Ryde, Ulf ^LU (2024) In IUCrJ 11(Pt 6). p.921-937
- Contribution to journal › Article
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 Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models
Hatch, Harold W. ; Bergonzo, Christina ; Blanco, Marco A. ; Yuan, Guangcui ; Grudinin, Sergei ; Lund, Mikael ^LU ; Curtis, Joseph E. ; Grishaev, Alexander V. ; Liu, Yun and Shen, Vincent K. (2024) In Journal of Chemical Physics 161(9).
- Contribution to journal › Article
Mark Exploring the factors influencing the ketoenamine-enolimine tautomeric equilibrium of pyridoxal 5′-phosphate in branched-chain aminotransferases
Li, Xue ; Yu, He ; Sun, Jiaqi and Sun, Xiaoli ^LU (2024) In Molecular Catalysis 569.
- 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 Interactions of intrinsically disordered peptides with phospholipid bilayers
Eriksson Skog, Amanda ^LU (2024)
- Thesis › Doctoral thesis (compilation)
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

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