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2024
Mark C-H Bond Oxidation by Mn^IV-Oxo Complexes : Hydrogen-Atom Tunneling and Multistate Reactivity
Singh, Priya ; Massie, Allyssa A. ; Denler, Melissa C. ; Lee, Yuri ; Mayfield, Jaycee R. ; Lomax, Markell J.A. ; Singh, Reena ^LU ; Nordlander, Ebbe ^LU and Jackson, Timothy A. (2024) In Inorganic Chemistry 63(17). p.7754-7769
- Contribution to journal › Article
Mark Collective wavefunction of Yrast states in ⁵⁰Cr
Idini, A. ^LU ; Ljungberg, J. ^LU ; Boström, J. ^LU and Carlsson, B. G. ^LU (2024) In Nuovo Cimento della Societa Italiana di Fisica C 47(2).
- Contribution to journal › Article
Mark Nonadiabatic Charge Transfer within Photoexcited Nickel Porphyrins
Naumova, Maria A. ; Paveliuc, Gheorghe ; Biednov, Mykola ; Kubicek, Katharina ; Kalinko, Aleksandr ; Meng, Jie ^LU ; Liang, Mingli ^LU ; Rahaman, Ahibur ^LU ; Abdellah, Mohamed and Checchia, Stefano ^LU , et al. (2024) In Journal of Physical Chemistry Letters 15(13). p.3627-3638
- Contribution to journal › Article
Mark Excited-state dynamics of 4-hydroxyisoindoline-1,3-dione and its derivative as fluorescent probes
Zhao, Li ; Jiang, Simin ; He, Yanmei ^LU ; Wu, Luling ; James, Tony D and Chen, Junsheng (2024) In Physical chemistry chemical physics : PCCP 26(17). p.13506-13514
- Contribution to journal › Article
Mark How Rigidity and Conjugation of Bidentate Ligands Affect the Geometry and Photophysics of Iron N-Heterocyclic Complexes : A Comparative Study
Prakash, Om ^LU ; Chábera, Pavel ^LU ; Kaul, Nidhi ; Hlynsson, Valtýr F. ^LU ; Rosemann, Nils W. ^LU ; Losada, Iria Bolaño ^LU ; Hoang Hai, Yen Tran ^LU ; Huang, Ping ^LU ; Bendix, Jesper and Ericsson, Tore , et al. (2024) In Inorganic Chemistry 63(10). p.4461-4473
- 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 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
2023
Mark Catalytic Reaction Mechanism of Glyoxalase II : A Quantum Mechanics/Molecular Mechanics Study
Shirazi, Javad ; Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2023) In Journal of Physical Chemistry B 127(20). p.4480-4495
- Contribution to journal › Article
Mark Molecular rearrangement of bicyclic peroxy radicals is a key route to aerosol from aromatics
Iyer, Siddharth ; Kumar, Avinash ; Savolainen, Anni ; Barua, Shawon ; Daub, Christopher ; Pichelstorfer, Lukas ; Roldin, Pontus ^LU ; Garmash, Olga ; Seal, Prasenjit and Kurtén, Theo , et al. (2023) In Nature Communications 14(1).
- Contribution to journal › Article
Mark Direct Determination of the Rate of Intersystem Crossing in a Near-IR Luminescent Cr(III) Triazolyl Complex
Jones, Robert W. ; Auty, Alexander J. ; Wu, Guanzhi ; Persson, Petter ^LU ; Appleby, Martin V. ; Chekulaev, Dimitri ; Rice, Craig R. ; Weinstein, Julia A. ; Elliott, Paul I.P. and Scattergood, Paul A. (2023) In Journal of the American Chemical Society 145(22). p.12081-12092
- Contribution to journal › Article

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