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- Currently displaying 3161 - 3180 of 30616 publications
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
(2023)
(doi: 10.26434/chemrxiv-2023-8k3sq)
Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model
(2023)
(doi: 10.5194/acp-2023-42)
Accelerated Chemical Reaction Optimization using Multi-Task Learning
(2023)
(doi: 10.26434/chemrxiv-2023-stqrt)
Supplementary material to "Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model"
(2023)
Versatile Biosynthetic Approach to Regioselective Enzyme Patterning for Direct Bioelectrocatalysis Application
Advanced Materials Technologies
(2023)
8
2201324
(doi: 10.1002/admt.202201324)
Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
The Journal of Physical Chemistry C
(2023)
127
3032
(doi: 10.1021/acs.jpcc.2c07263)
Furan-based Inhibitors of Pyruvate Dehydrogenase: SAR Study, Biochemical Evaluation and Computational Analysis
Organic & biomolecular chemistry
(2023)
21
1755
(doi: 10.1039/d2ob02272a)
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
(2023)
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
(2023)
(doi: 10.48550/arxiv.2301.11731)
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water
(2023)
Hallucinating functional protein sequences
Nat Biotechnol
(2023)
41
1073
(doi: 10.1038/s41587-022-01634-2)
Convergence of Møller-Plesset perturbation theory for excited reference states
(2023)
(doi: 10.48550/arxiv.2301.10539)
Thiamine analogues as inhibitors of pyruvate dehydrogenase and discovery of a thiamine analogue with non-thiamine related antiplasmodial activity (vol 13, pg 817, 2022)
RSC medicinal chemistry
(2023)
14
190
(doi: 10.17863/CAM.91782)
Roadmap on chalcogenide photonics
Journal of Physics: Photonics
(2023)
5
012501
(doi: 10.1088/2515-7647/ac9a91)
Cooperative Initiation in a Dinuclear Indium Complex for CO2 Epoxide Copolymerization
Inorganic Chemistry
(2023)
62
1968
Molecular Dynamics with Chemical AccuracyAlkane Adsorption in Acidic Zeolites
ACS Catalysis
(2023)
13
2011
(doi: 10.1021/acscatal.2c05493)
Soluble Diphenylhexatriene Dimers for Intramolecular Singlet Fission with High Triplet Energy.
Journal of the American Chemical Society
(2023)
145
2499
(doi: 10.1021/jacs.2c12060)
Chem-map profiles drug binding to chromatin in cells
Nature Biotechnology
(2023)
41
1265
(doi: 10.1038/s41587-022-01636-0)
Disintegrate (DIN) Theory Enabling Precision Engineering of Proteins.
ACS central science
(2023)
9
137
(doi: 10.1021/acscentsci.2c01455)