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- Currently displaying 221 - 240 of 27880 publications
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)
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)
Nonspecificity fingerprints for clinical-stage antibodies in solution.
– Proc Natl Acad Sci U S A
(2023)
120,
e2306700120
(doi: 10.1073/pnas.2306700120)
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)
Publisher Correction: Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD.
– 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)
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)
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)
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)
Efficient Cu2O Photocathodes for Aqueous Photoelectrochemical CO2 Reduction to Formate and Syngas
– J Am Chem Soc
(2023)
145,
27939
(doi: 10.1021/jacs.3c06146)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
(2023)
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction.
– Angewandte Chemie International Edition
(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.
– Chemical Science
(2023)
15,
160
(doi: 10.1039/d3sc05690b)
Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells
– ACS Energy Letters
(2023)
8,
5025
Superstructure and Correlated Na+ Hopping in a Layered Mg-Substituted Sodium Manganate Battery Cathode are Driven by Local Electroneutrality.
– Chemistry of Materials
(2023)
35,
10564
Understanding the patterns and health impact of indoor air pollutant exposures in Bradford, UK: a study protocol.
– BMJ open
(2023)
13,
e081099
(doi: 10.1136/bmjopen-2023-081099)