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- Currently displaying 1641 - 1660 of 30279 publications
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)
Harnessing Maxwell's demon to establish a macroscale concentration gradient.
Nat Chem
(2024)
16
1558
(doi: 10.1038/s41557-024-01549-2)
Calibrated prediction of scarce adverse drug reaction labels with conditional neural processes
(2024)
(doi: 10.1101/2024.06.07.598036)
Discovering classical spin liquids by topological search of high symmetry nets
(2024)
Biomolecular condensates with complex architectures via controlled nucleation
Nature Chemical Engineering
(2024)
1
430
(doi: 10.1038/s44286-024-00077-7)
Assessing the Charge Carrier Dynamics at Hybrid Interfaces of Organic Photoanodes for Solar Fuels
The journal of physical chemistry letters
(2024)
15
6347
(doi: 10.1021/acs.jpclett.4c01170)
Improved Detection of Drug-Induced Liver Injury by Integrating Predictedin vivoandin vitroData
(2024)
(doi: 10.1101/2024.01.10.575128)
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)
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)
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)
Fragment-Based Discovery of Novel MUS81 Inhibitors
ACS Medicinal Chemistry Letters
(2024)
15
1151
Fourfold increase in photocurrent generation of Synechocystis sp. PCC 6803 by exopolysaccharide deprivation
Electrochimica Acta
(2024)
497
144555
Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
(2024)
(doi: 10.48550/arxiv.2406.03795)
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
Chemical reviews
(2024)
124
8014
(doi: 10.1021/acs.chemrev.3c00902)
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 : PCCP
(2024)
26
15844
(doi: 10.1039/d4cp01265h)
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)
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
(2024)
(doi: 10.26434/chemrxiv-2024-kwnrh)