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2025
Mark The Cu_B site in particulate methane monooxygenase may be used to produce hydrogen peroxide
Lundgren, Kristoffer J.M. ^LU ; Cao, Lili ^LU ; Torbjörnsson, Magne ^LU ; Hedegård, Erik D. ^LU and Ryde, Ulf ^LU (2025) In Dalton Transactions 54(8). p.3141-3156
- Contribution to journal › Article
Mark Comparison of renormalized interactions using one-dimensional few-body systems as a testbed
Brauneis, Fabian ; Hammer, Hans Werner ; Reimann, Stephanie M. ^LU and Volosniev, Artem G. (2025) In Physical Review A 111(1).
- Contribution to journal › Article
Mark Study on the Influence of External Electric Field Control and Vibrational Quantum Effect on the Charge Separation Mechanism in Fullerene-Based Systems
Wang, Xinyue ; Guo, Huijie ; Kang, Dawei ; Pullerits, Tõnu ^LU and Song, Peng (2025) In Journal of Physical Chemistry A 129(5). p.1207-1218
- Contribution to journal › Article
Mark Exceptionally Strong Double-Layer Barriers Generated by Polyampholyte Salt
Ribar, David ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2025) In Journal of Physical Chemistry B 129(17). p.4241-4248
- Contribution to journal › Article
Mark Reversible excited state electron transfer in an acceptor-acceptor hetero dyad
Jensen, Jesper Dahl ; Louie, Shayan ; He, Yanmei ^LU ; Chen, Junsheng ^LU ; Nuckolls, Colin and Laursen, Bo W. (2025) In Chemical Science 16(21). p.9525-9534
- Contribution to journal › Article
Mark Hydrogen migration reactions via low internal energy pathways in aminobenzoic acid dications
Veteläinen, Onni ; Babayan, Morsal ; Pihlava, Lassi ; Abid, Abdul Rahman ; Kivimäki, Antti ^LU ; Kukk, Edwin ; Walsh, Noelle ^LU ; Urpelainen, Samuli ; Björneholm, Olle and Huttula, Marko , et al. (2025) In Physical Chemistry Chemical Physics 27(18). p.9884-9894
- Contribution to journal › Article
Mark Exploring the high sensitivity of DFT thermochemistry for protonation states of a ferredoxin model complex [ C H 3 S 4 Fe 2 III S 2 H ] −
Vysotskiy, Victor P. ^LU and Ryde, Ulf ^LU (2025) In Journal of Chemical Physics 162(16).
- Contribution to journal › Article
Mark Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
Wang, Meiting ^LU ; Jiang, Hao ^LU and Ryde, Ulf ^LU (2025) In Journal of Chemical Information and Modeling
- Contribution to journal › Article
Mark X-ray-absorption spectrum of O2+
Cornetta, Lucas M. ; Kjellsson, Ludvig ; Couto, Rafael C. ; Ågren, Hans ; Carravetta, Vincenzo ; Sörensen, Stacey L. ^LU ; Kubin, Markus ; Bülow, Christine ; Zamudio-Bayer, Vicente and Von Issendorff, Bernd , et al. (2025) In Physical Review A 111(2).
- Contribution to journal › Article
Mark Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations
Dehabadi, Maryam Haji ; Irani, Mehdi ^LU and Ryde, Ulf ^LU (2025) In Inorganic Chemistry
- Contribution to journal › Article

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