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- Currently displaying 3161 - 3180 of 30614 publications
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)
Silver nanostructure-modified graphite electrode for in-operando SERRS investigation of iron porphyrins during high-potential electrocatalysis.
J Chem Phys
(2023)
158
044201
(doi: 10.1063/5.0136333)
Accelerated Chemical Reaction Optimization using Multi-Task Learning
(2023)
(doi: 10.26434/chemrxiv-2023-stqrt)
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
(2023)
(doi: 10.26434/chemrxiv-2023-8k3sq)
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
Journal of Physical Chemistry C
(2023)
127
3032
(doi: 10.1021/acs.jpcc.2c07263)
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
(2023)
Furan-based Thiamine Antagonists for Pyruvate Dehydrogenase: SAR Investigation, Biochemical Evaluation and Computational Analysis
Organic & biomolecular chemistry
(2023)
21
1755
(doi: 10.1039/d2ob02272a)
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.91755)
Convergence of Møller-Plesset perturbation theory for excited reference states
(2023)
(doi: 10.48550/arxiv.2301.10539)
Soluble Diphenylhexatriene Dimers for Intramolecular Singlet Fission with High Triplet Energy
J Am Chem Soc
(2023)
145
2499
(doi: 10.1021/jacs.2c12060)
Molecular Dynamics with Chemical AccuracyAlkane Adsorption in Acidic Zeolites
ACS Catalysis
(2023)
13
2011
(doi: 10.1021/acscatal.2c05493)
Chem-map: Profiling drug binding to chromatin in cells
Nature Biotechnology
(2023)
41
1265
(doi: 10.1038/s41587-022-01636-0)
Roadmap on chalcogenide photonics
Journal of Physics Photonics
(2023)
5
012501
(doi: 10.1088/2515-7647/ac9a91)