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2022
Mark QM/MM Study of Partial Dissociation of S2B for the E₂ Intermediate of Nitrogenase
Jiang, Hao ^LU ; Svensson, Oskar K. G. ^LU and Ryde, Ulf ^LU (2022) In Inorganic Chemistry 61(45). p.18067-18076
- Contribution to journal › Article
2021
Mark Hg(II) Binding to Thymine Bases in DNA
Nehzati, Susan ^LU ; Summers, Anne O. ; Dolgova, Natalia V. ; Zhu, Jianfeng ; Sokaras, Dimosthenis ; Kroll, Thomas ; Pickering, Ingrid J. and George, Graham N. (2021) In Inorganic Chemistry 60(10). p.7442-7452
- Contribution to journal › Article
2020
Mark Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I
Jafari, Sonia ; Ryde, Ulf ^LU ; Fouda, Adam Emad Ahmed ; Alavi, Fatemeh Sadat ; Dong, Geng ^LU and Irani, Mehdi ^LU (2020) In Inorganic Chemistry 59. p.2594-2603
- Contribution to journal › Article
2019
Mark Excited State Dynamics of Bistridentate and Trisbidentate RuII Complexes of Quinoline-Pyrazole Ligands
Fredin, Lisa ^LU ; Hedberg Wallenstein, Joachim ; Sundin, Elin ; Jarenmark, Martin ^LU ; Barbosa de Mattos, Deise F. ; Persson, Petter ^LU and Abrahamsson, Maria (2019) In Inorganic Chemistry 58(24). p.16354-16363
- Contribution to journal › Article
2016
Mark Theoretical Study of Phosphodiester Hydrolysis and Transesterification Catalyzed by an Unsymmetric Biomimetic Dizinc Complex.
Daver, Henrik ; Das, Biswanath ^LU ; Nordlander, Ebbe ^LU and Himo, Fahmi (2016) In Inorganic Chemistry
- Contribution to journal › Article
2015
Mark Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.
Seredyuk, Maksym ; Piñeiro-López, Lucía ; Muñoz, M Carmen ; Martinez, Francisco ^LU ; Molnár, Gábor ; Rodriguez-Velamazán, José Alberto ; Bousseksou, Azzedine and Real, José Antonio (2015) In Inorganic Chemistry 54(15). p.7424-7432
- Contribution to journal › Article
Mark Synthesis, Crystal Structure, and Bonding Analysis of the Hypoelectronic Cubic Phase Ca5Pd6Ge6.
Doverbratt, Isa ^LU ; Ponou, Simeon ^LU ; Wang, Fei ^LU and Lidin, Sven ^LU (2015) In Inorganic Chemistry 54(18). p.9098-9104
- Contribution to journal › Article
Mark AuCd4: A Hume-Rothery Phase with VEC of 1.8 and Icosahedral and Trigonal-Prismatic Clusters as Building Blocks.
Jana, Partha ^LU and Lidin, Sven ^LU (2015) In Inorganic Chemistry 54(3). p.713-721
- Contribution to journal › Article
Mark Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions
Mitra, Mainak ^LU ; Nimir, Hassan ; Demeshko, Serhiy ; Bhat, Satish ^LU ; Malinkin, Sergey O. ; Haukka, Matti ; Lloret-Fillol, Julio ; Lisensky, George C. ; Meyer, Franc and Shteinman, Albert A. , et al. (2015) In Inorganic Chemistry 54(15). p.7152-7164
- Contribution to journal › Article
2014
Mark Comparison of the active-site design of molybdenum oxo-transfer enzymes by quantum mechanical calculations.
Li, Jilai ^LU and Ryde, Ulf ^LU (2014) In Inorganic Chemistry 53(22). p.11913-11924
- Contribution to journal › Article

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