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- Currently displaying 3061 - 3080 of 31110 publications
Mechanistic Studies on Iron-Catalyzed Dehydrogenation of Amines Involving Cyclopentadienone Iron Complexes─Evidence for Stepwise Hydride and Proton Transfer
ACS Catalysis
(2023)
13
8477
(doi: 10.1021/acscatal.3c01779)
A Computational Suite for the Structural and Functional Characterisation of Amyloid Aggregates
Cell Reports Methods
(2023)
3
100499
(doi: 10.1016/j.crmeth.2023.100499)
Characterization and super-resolution imaging of small tau aggregates in human samples
(2023)
(doi: 10.1101/2023.06.12.544575)
Formation of Protein Nanoparticles in Microdroplet Flow Reactors
ACS nano
(2023)
17
11335
(doi: 10.1021/acsnano.3c00107)
Topological invariance in whiteness optimisation.
Communications physics
(2023)
6
137
(doi: 10.1038/s42005-023-01234-9)
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
(2023)
Accurate calculation of tunneling splittings in water clusters using path-integral based methods.
Journal of Chemical Physics
(2023)
158
220901
(doi: 10.1063/5.0146562)
Optimizing Jastrow factors for the transcorrelated method
J Chem Phys
(2023)
158
224105
(doi: 10.1063/5.0147877)
Corrigendum to 'Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1-42' [Redox Biol. 63 (2023) 102736].
Redox Biology
(2023)
102768
(doi: 10.1016/j.redox.2023.102768)
Enantiopure FeII4L4 cages bind steroids stereoselectively
Chem
(2023)
9
1549
(doi: 10.1016/j.chempr.2023.03.011)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
(2023)
Improving comparative analyses of Hi-C data via contrastive self-supervised learning
Brief Bioinform
(2023)
24
bbad193
(doi: 10.1093/bib/bbad193)
Synthesis of sp 3 -rich heterocyclic frameworks by a divergent synthesis strategy
Organic & Biomolecular Chemistry
(2023)
21
4591
(doi: 10.1039/d3ob00351e)
Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics
Biotechnol Adv
(2023)
67
108192
Correction to “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
11419
(doi: 10.1021/acs.jpcc.3c03075)
Seasonal, interannual and decadal variability of tropospheric ozone in the North Atlantic: comparison of UM-UKCA and remote sensing observations for 2005–2018
Atmospheric Chemistry and Physics
(2023)
23
6169
(doi: 10.5194/acp-23-6169-2023)
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.
Chem Sci
(2023)
14
6522
(doi: 10.1039/d3sc02151c)
Fragment-Merging Strategies with Known Pyrimidine Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis.
ChemMedChem
(2023)
18
e202300240
(doi: 10.1002/cmdc.202300240)
Stable and scalable computation of state visitation probabilities in finite Markov chains.
The Journal of Chemical Physics
(2023)
158
211103
(doi: 10.1063/5.0154772)
C 13 NMR study of the electronic structure of lithiated graphite
Physical Review Materials
(2023)
7
065402