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- Currently displaying 2381 - 2400 of 29274 publications
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
(2023)
(doi: 10.48550/arxiv.2301.11731)
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: 10.1039/d2md90043b)
Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force Fields
(2023)
(doi: 10.48550/arxiv.2301.09931)
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 Accuracy-Alkane Adsorption in Acidic Zeolites
ACS Catalysis
(2023)
13
2011
(doi: 10.1021/acscatal.2c05493)
Chem-map profiles drug binding to chromatin in cells.
Nat Biotechnol
(2023)
41
1265
(doi: 10.1038/s41587-022-01636-0)
Soluble Diphenylhexatriene Dimers for Intramolecular Singlet Fission with High Triplet Energy
J Am Chem Soc
(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)
Excess mortality associated with high ozone exposure: A national cohort study in China
Environmental science and ecotechnology
(2023)
15
100241
(doi: 10.1016/j.ese.2023.100241)
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction
Journal of the American Chemical Society
(2023)
145
2354
(doi: 10.1021/jacs.2c11265)
Bioprinting microporous functional living materials from protein-based core-shell microgels
Nature Communications
(2023)
14
322
(doi: 10.1038/s41467-022-35140-5)
Hybrid photocathode based on a Ni molecular catalyst and Sb2Se3 for solar H2 production.
Chem Commun (Camb)
(2023)
59
944
(doi: 10.1039/d2cc04810h)
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
(2023)
(doi: 10.1101/2023.01.19.524720)
Multistate Redox-Switchable Ion Transport Using Chalcogen-Bonding Anionophores.
J Am Chem Soc
(2023)
145
2661
(doi: 10.1021/jacs.2c12892)
In situ Detection of Cobaloxime Intermediates During Photocatalysis Using Hollow‐Core Photonic Crystal Fiber Microreactors
Angewandte Chemie (International ed. in English)
(2023)
62
e202214788
(doi: 10.1002/anie.202214788)
Chemical bonds in collagen rupture selectively under tensile stress
Phys Chem Chem Phys
(2023)
25
2331
(doi: 10.1039/d2cp05051j)