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- Currently displaying 3081 - 3100 of 30444 publications
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
(2023)
Furan-based inhibitors of pyruvate dehydrogenase: SAR study, biochemical evaluation and computational analysis.
Organic and 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.
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.91768)
Roadmap on chalcogenide photonics
Journal of Physics Photonics
(2023)
5
012501
(doi: 10.1088/2515-7647/ac9a91)
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)
Disintegrate (DIN) Theory Enabling Precision Engineering of Proteins.
ACS Central Science
(2023)
9
137
(doi: 10.1021/acscentsci.2c01455)
Cooperative Initiation in a Dinuclear Indium Complex for CO2 Epoxide Copolymerization.
Inorganic chemistry
(2023)
62
1968
Chem-map: Profiling drug binding to chromatin in cells
Nat Biotechnol
(2023)
41
1265
(doi: 10.1038/s41587-022-01636-0)
Molecular Dynamics with Chemical Accuracy─Alkane Adsorption in Acidic Zeolites
ACS Catalysis
(2023)
13
2011
(doi: 10.1021/acscatal.2c05493)
Excess mortality associated with high ozone exposure: A national cohort study in China
Environ Sci Ecotechnol
(2023)
15
100241
(doi: 10.1016/j.ese.2023.100241)
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction
J Am Chem Soc
(2023)
145
2354
(doi: 10.1021/jacs.2c11265)
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
(2023)
(doi: 10.1101/2023.01.19.524720)
Bioprinting microporous functional living materials from protein-based core-shell microgels
Nat Commun
(2023)
14
322
(doi: 10.1038/s41467-022-35140-5)
Hybrid photocathode based on a Ni molecular catalyst and Sb 2 Se 3 for solar H 2 production
Chemical Communications
(2023)
59
944
(doi: 10.17863/CAM.92435)
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model
(2023)
(doi: 10.48550/arxiv.2301.07865)