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- Currently displaying 1741 - 1760 of 30442 publications
Identification of high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using Deep Docking
(2024)
(doi: 10.21203/rs.3.rs-4512167/v1)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters.
Journal of chemical theory and computation
(2024)
20
5306
(doi: 10.1021/acs.jctc.4c00379)
Calibrated prediction of scarce adverse drug reaction labels with conditional neural processes
(2024)
(doi: 10.1101/2024.06.07.598036)
Assessing the Charge Carrier Dynamics at Hybrid Interfaces of Organic Photoanodes for Solar Fuels.
Journal of Physical Chemistry Letters
(2024)
15
6347
(doi: 10.1021/acs.jpclett.4c01170)
Harnessing Maxwell’s demon to establish a macroscale concentration gradient
Nat Chem
(2024)
16
1558
(doi: 10.1038/s41557-024-01549-2)
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data
(2024)
(doi: 10.1101/2024.01.10.575128)
Li‐Site Defects Induce Formation of Li‐Rich Impurity Phases: Implications for Charge Distribution and Performance of LiNi0.5−xMxMn1.5O4 Cathodes (M = Fe and Mg; x = 0.05–0.2)
Adv Mater
(2024)
36
e2400343
(doi: 10.1002/adma.202400343)
Fourfold increase in photocurrent generation of Synechocystis sp. PCC 6803 by exopolysaccharide deprivation
Electrochimica Acta
(2024)
497
144555
Excited State-Specific CASSCF Theory for the Torsion of Ethylene.
Journal of chemical theory and computation
(2024)
20
5105
(doi: 10.1021/acs.jctc.4c00212)
Fragment-Based Discovery of Novel MUS81 Inhibitors.
ACS Medicinal Chemistry Letters
(2024)
15
1151
Global agricultural N2O emission reduction strategies deliver climate benefits with minimal impact on stratospheric O3 recovery
npj Climate and Atmospheric Science
(2024)
7
121
(doi: 10.1038/s41612-024-00678-2)
Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
(2024)
(doi: 10.48550/arxiv.2406.03795)
Machine-learning structural reconstructions for accelerated point defect calculations
npj Computational Materials
(2024)
10
121
(doi: 10.1038/s41524-024-01303-9)
Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3.
Physical Chemistry Chemical Physics
(2024)
26
15844
(doi: 10.1039/d4cp01265h)
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
Chemical reviews
(2024)
124
8014
(doi: 10.1021/acs.chemrev.3c00902)
Cubic double perovskites host noncoplanar spin textures
npj Quantum Materials
(2024)
9
48
(doi: 10.1038/s41535-024-00650-6)
Capturing carbon dioxide from air with charged-sorbents
Nature
(2024)
630
654
(doi: 10.1038/s41586-024-07449-2)
Thermodynamically consistent flocking: from discontinuous to continuous transitions
New Journal of Physics
(2024)
26
063006
(doi: 10.1088/1367-2630/ad4dd6)
Quasi-Solid-State Electrolyte Induced by Metallic MoS2 for Lithium–Sulfur Batteries
ACS nano
(2024)
18
16041
(doi: 10.1021/acsnano.4c05002)
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
(2024)
(doi: 10.26434/chemrxiv-2024-kwnrh)