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- Currently displaying 201 - 220 of 27831 publications
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)
Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors
– J Chem Theory Comput
(2023)
20,
469
(doi: 10.1021/acs.jctc.3c01224)
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)
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
(2023)
(doi: 10.48550/arxiv.2312.09761)
Correction to: Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD (Nature Structural & Molecular Biology, (2023), 30, 11, (1628-1639), 10.1038/s41594-023-01095-4)
– Nature Structural & Molecular Biology
(2023)
31,
390
(doi: 10.1038/s41594-023-01179-1)
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)
The sensitivity of Southern Ocean atmospheric dimethyl sulfide (DMS) to modeled oceanic DMS concentrations and emissions
– Atmospheric Chemistry and Physics
(2023)
23,
15181
(doi: 10.5194/acp-23-15181-2023)
Employment of Alkoxy Sidechains in Semicrystalline Semiconducting Polymers for Ambient-Stable p‑Doped Conjugated Polymers
– Macromolecules
(2023)
57,
328
(doi: 10.1021/acs.macromol.3c00211)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
(2023)
Efficient Cu2O Photocathodes for Aqueous Photoelectrochemical CO2 Reduction to Formate and Syngas
– J Am Chem Soc
(2023)
145,
27939
(doi: 10.1021/jacs.3c06146)
Jahn-Teller distortions and phase transitions in LiNiO2: Insights from ab initio molecular dynamics and variable-temperature X-ray diffraction
(2023)
(doi: 10.26434/chemrxiv-2023-q3cmz)
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction.
– Angew Chem Int Ed Engl
(2023)
63,
e202310547
(doi: 10.1002/anie.202310547)
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction
– Angewandte Chemie
(2023)
136,
e202310547
(doi: 10.1002/ange.202310547)
Effect of Ionic Association in the Catalytic Mechanism of Redox Mediators for Li-air Batteries: a Theoretical Framework
(2023)
(doi: 10.26434/chemrxiv-2023-17v6c)
An atomic surface site interaction point description of non-covalent interactions.
– Chem Sci
(2023)
15,
160
(doi: 10.1039/d3sc05690b)
Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells
– ACS Energy Letters
(2023)
8,
5025