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- Currently displaying 2121 - 2140 of 29261 publications
Design of thiamine analogues for inhibition of thiamine diphosphate (ThDP)-dependent enzymes: Systematic investigation through Scaffold-Hopping and C2-Functionalisation.
Bioorg Chem
(2023)
138
106602
(doi: 10.1016/j.bioorg.2023.106602)
Competition between lanes and transient jammed clusters in driven binary
mixtures
(2023)
Triarylamines as Catholytes in Aqueous Organic Redox Flow Batteries
Chemsuschem
(2023)
16
e202300128
(doi: 10.1002/cssc.202300128)
Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted‐Acid Sites in the Zeolite H‐MFI
Angewandte Chemie
(2023)
135
e202303204
(doi: 10.1002/ange.202303204)
A Deep Potential model for liquid–vapor equilibrium and cavitation rates of water
Journal of Chemical Physics
(2023)
158
184504
(doi: 10.1063/5.0144500)
Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted-Acid Sites in the Zeolite H-MFI
Angewandte Chemie International Edition
(2023)
62
e202303204
(doi: 10.1002/anie.202303204)
Nuclear spin diffusion in the central spin system of a GaAs/AlGaAs quantum dot.
Nature Communications
(2023)
14
2677
(doi: 10.1038/s41467-023-38349-0)
Folded Spectrum VQE : A quantum computing method for the calculation of
molecular excited states
(2023)
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems
The Journal of Chemical Physics
(2023)
158
184101
(doi: 10.1063/5.0145767)
High-physiological and supra-physiological 1,2-<sup>13</sup>C<sub>2</sub> glucose focal supplementation to the traumatised human brain.
Journal of Cerebral Blood Flow and Metabolism
(2023)
43
1685
(doi: 10.1177/0271678X231173584)
Osmolyte-Induced Protein Stability Changes Explained by Graph Theory
(2023)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
(2023)
(doi: 10.1101/2023.05.05.539523)
Conformational changes in protein kinase A along its activation cycle are rooted in the folding energetics of cyclic-nucleotide binding domains.
J Biol Chem
(2023)
299
104790
(doi: 10.1016/j.jbc.2023.104790)
Finding Excited-state Minimum Energy Crossing Points on a Budget: Non-self-consistent Tight-Binding Methods
The journal of physical chemistry letters
(2023)
14
4440
(doi: 10.1021/acs.jpclett.3c00494)
TREXIO: A file format and library for quantum chemistry
J Chem Phys
(2023)
158
174801
(doi: 10.1063/5.0148161)
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
(2023)
(doi: 10.17863/CAM.107219)
A Photoredox Reaction for the Selective Modification of 5-Carboxycytosine in DNA
Angewandte Chemie International Edition
(2023)
145
10505
(doi: 10.1021/jacs.2c12558)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
The journal of physical chemistry. A
(2023)
127
4538
(doi: 10.1021/acs.jpca.3c00603)
