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- Currently displaying 241 - 260 of 27953 publications
Oxygen Hole Formation Controls Stability in LiNiO2 Cathodes: DFT Studies of Oxygen Loss and Singlet Oxygen Formation in Li-Ion Batteries
– ECS Meeting Abstracts
(2023)
MA2023-02,
162
(doi: 10.1149/ma2023-022162mtgabs)
Operando 17o NMR Studies of Degradation in Li-Oxygen Batteries
– ECS Meeting Abstracts
(2023)
MA2023-02,
3404
(doi: 10.1149/ma2023-0283404mtgabs)
Transient Short Circuit-Based Degradation of Lithium and Sodium Anode-Free Batteries
– ECS Meeting Abstracts
(2023)
MA2023-02,
2896
(Invited) Ionic Transport and Structure of Battery Electrolytes, Electrodes and Interfaces: New NMR, Diffraction and Optical Microscopy Approaches
– ECS Meeting Abstracts
(2023)
MA2023-02,
2423
Volta: A Tool for Battery Screening Bridging the Gap between Virtual Electrode Materials and Practical Applications
– ECS Meeting Abstracts
(2023)
MA2023-02,
51
(doi: 10.1149/ma2023-02151mtgabs)
Solvent-Driven Degradation of Ni-Rich Cathodes Probed by Operando Gas Analysis
– ECS Meeting Abstracts
(2023)
MA2023-02,
348
(doi: 10.1149/ma2023-022348mtgabs)
Towards High-Capacity Recovery Aprotic Li-O2 Batteries
– ECS Meeting Abstracts
(2023)
MA2023-02,
109
(doi: 10.1149/ma2023-021109mtgabs)
A Comprehensive Study on the Effect of Washing on Nickel-Rich Layered Transition Metal Oxides: Surface Characterization after Li+/H+-Exchange
– ECS Meeting Abstracts
(2023)
MA2023-02,
393
(doi: 10.1149/ma2023-022393mtgabs)
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations
– J Cheminform
(2023)
15,
124
(doi: 10.1186/s13321-023-00794-w)
Impacts of supercapacitor electrode structure on electrochemical CO2 capture
(2023)
(doi: 10.26434/chemrxiv-2023-nj817)
Structural Disorder Determines Capacitance in Nanoporous Carbons
(2023)
(doi: 10.26434/chemrxiv-2023-bd24m)
Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors
– Journal of chemical theory and computation
(2023)
20,
469
(doi: 10.1021/acs.jctc.3c01224)
Diamond-Like Carbon: A Surface for Extreme, High-Wear Environments
– Langmuir
(2023)
40,
52
(doi: 10.1021/acs.langmuir.3c01438)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
(2023)
(doi: 10.48550/arxiv.2312.12530)
RASP: Optimal single fluorescent puncta detection in complex cellular backgrounds
(2023)
(doi: 10.1101/2023.12.18.572148)
Nonspecificity fingerprints for clinical-stage antibodies in solution.
– Proceedings of the National Academy of Sciences
(2023)
120,
e2306700120
(doi: 10.1073/pnas.2306700120)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
– Journal of chemical theory and computation
(2023)
20,
164
(doi: 10.1021/acs.jctc.3c00710)
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
(2023)
(doi: 10.17863/CAM.106755)
Cerebral organoids with chromosome 21 trisomy secrete Alzheimer’s disease-related soluble aggregates detectable by single-molecule-fluorescence and super-resolution microscopy
– Molecular Psychiatry
(2023)
1
(doi: 10.1038/s41380-023-02333-3)
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
(2023)
(doi: 10.48550/arxiv.2312.09761)