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- Currently displaying 2841 - 2860 of 30138 publications
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)
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)
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
(2023)
(doi: 10.26434/chemrxiv-2023-8k3sq)
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
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
Nature Biotechnology
(2023)
41
1073
(doi: 10.1038/s41587-022-01634-2)
Correction: Thiamine analogues as inhibitors of pyruvate dehydrogenase and discovery of a thiamine analogue with non-thiamine related antiplasmodial activity
RSC medicinal chemistry
(2023)
14
190
(doi: 10.17863/CAM.91768)
Convergence of Møller-Plesset perturbation theory for excited reference states
(2023)
(doi: 10.48550/arxiv.2301.10539)
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)
Roadmap on chalcogenide photonics
Journal of Physics: Photonics
(2023)
5
012501
(doi: 10.1088/2515-7647/ac9a91)
Molecular Dynamics with Chemical Accuracy-Alkane Adsorption in Acidic Zeolites
ACS Catalysis
(2023)
13
2011
(doi: 10.1021/acscatal.2c05493)
Cooperative Initiation in a Dinuclear Indium Complex for CO2 Epoxide Copolymerization.
Inorganic Chemistry
(2023)
62
1968
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)