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- Currently displaying 1521 - 1540 of 29852 publications
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)
29
369
(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)
Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD ( vol 30 , pg 1628 , 2023)
Nature structural & molecular biology
(2023)
31
390
(doi: 10.1038/s41594-023-01179-1)
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)
pHbot: Self‐Driven Robot for pH Adjustment of Viscous Formulations via Physics‐informed‐ML**
Chemistry - Methods
(2023)
4
e202300043
(doi: 10.1002/cmtd.202300043)
Development and application of chemical linking strategies for post-translational protein–protein conjugation
(2023)
(doi: 10.17863/CAM.108269)
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)
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)
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
Chem Mater
(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)