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- Currently displaying 401 - 420 of 29614 publications
Prediction of enzyme inhibition (IC<sub>50</sub>) using a combination of protein-ligand docking and semiempirical quantum mechanics.
Journal of Molecular Modeling
(2025)
31
209
(doi: 10.1007/s00894-025-06423-7)
Enzymatic flow electrolyser for the comproportionation of CO2 and organic waste to formate
(2025)
(doi: 10.26434/chemrxiv-2025-8hc25)
Modifying recombinant purple acid phosphatase using computational design.
Eur Biophys J
(2025)
1
(doi: 10.1007/s00249-025-01779-3)
Towards High Voltage Cathodes for Rechargeable Mg Batteries: Evaluating Mg Mobility in Borate Polyanions
ECS Meeting Abstracts
(2025)
MA2025-01
167
(doi: 10.1149/ma2025-013167mtgabs)
A Multistate Adaptive System of Topologically Distinct Chiral Assemblies.
Angewandte Chemie International Edition
(2025)
64
e202509903
(doi: 10.1002/anie.202509903)
Carbon Capture from Natural Gas Flue Emissions and Air via (Bi)Carbonate Formation in a Cyclodextrin-Based Metal–Organic Framework
Journal of the American Chemical Society
(2025)
147
25715
(doi: 10.1021/jacs.5c07336)
Effect of Washing on Nickel-Rich Layered Oxides: Methodology to Quantify the Lithium/Proton-Exchange Kinetics, the Inserted Protons, and the Structural Changes
ECS Meeting Abstracts
(2025)
MA2025-01
466
(doi: 10.1149/ma2025-013466mtgabs)
Chemical Degradation Routes of Electrolytes in Nickel-Rich Lithium-Ion Batteries: Where Does It All Begin?
ECS Meeting Abstracts
(2025)
MA2025-01
313
(doi: 10.1149/ma2025-013313mtgabs)
Operando Optical Monitoring of the Dynamics and Inhomogeneity of the Electrical Double Layer on Single Particles
ECS Meeting Abstracts
(2025)
MA2025-01
78
(doi: 10.1149/ma2025-01178mtgabs)
Laser Ablation of Channels in Flow-through Electrodes for Flow Batteries
ECS Meeting Abstracts
(2025)
MA2025-01
2419
Electrochemical CO2 Capture with Quinone Framework Electrodes
ECS Meeting Abstracts
(2025)
MA2025-01
2538
Phosphate Electrolyte Additives to Stabilise Nickel-Rich Cathodes in Lithium-Ion Batteries
ECS Meeting Abstracts
(2025)
MA2025-01
407
(doi: 10.1149/ma2025-013407mtgabs)
The Impact of Singlet Oxygen Release on Ethylene Carbonate-Based Lithium-Ion Electrolytes
ECS Meeting Abstracts
(2025)
MA2025-01
117
(doi: 10.1149/ma2025-012117mtgabs)
Identifying split vacancy defects with machine-learned foundation models and electrostatics
Journal of Physics Energy
(2025)
7
045002
(doi: 10.1088/2515-7655/ade916)
Impact of Intercalated Protons in Ni-Rich Cathode Active Materials on the Performance and Cycle-Life of Lithium-Ion Batteries
ECS Meeting Abstracts
(2025)
MA2025-01
286
(doi: 10.1149/ma2025-013286mtgabs)
Exploring Discharge Product Distribution in Li-O2 Batteries
ECS Meeting Abstracts
(2025)
MA2025-01
2938
EIS and DRT Guided Design of Aqueous Organic Flow Battery Electrodes
ECS Meeting Abstracts
(2025)
MA2025-01
2406
Nucleosome spacing can fine-tune higher-order chromatin assembly.
Nat Commun
(2025)
16
6315
(doi: 10.1038/s41467-025-61482-x)
Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods
(2025)
Probing the microscopic behaviour of PFOS clustering and adsorption at LNAPL interfaces; a PFOS–water–cyclohexane system
Environmental Science & Technology
(2025)
59
14615
(doi: 10.1021/acs.est.5c01748)