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- Currently displaying 2041 - 2060 of 29293 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)
Volume 3
100499
(doi: 10.1016/j.crmeth.2023.100499)
Topological invariance in whiteness optimisation
Commun Phys
(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)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
(2023)
Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736] (Redox Biology (2023) 63, (S2213231723001374), (10.1016/j.redox.2023.102736))
Redox Biol
(2023)
102768
(doi: 10.1016/j.redox.2023.102768)
Enantiopure FeII 4L4 cages bind steroids stereoselectively
Chem
(2023)
9
1549
(doi: 10.1016/j.chempr.2023.03.011)
Optimizing Jastrow factors for the transcorrelated method
J Chem Phys
(2023)
158
224105
(doi: 10.1063/5.0147877)
Synthesis of sp3-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
Fragment‐Merging Strategies with Known Pyrimidine Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis
Chemmedchem
(2023)
18
e202300240
(doi: 10.1002/cmdc.202300240)
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.
Chem Sci
(2023)
14
6522
(doi: 10.1039/d3sc02151c)
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)
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)
C13 NMR study of the electronic structure of lithiated graphite
Physical Review Materials
(2023)
7
065402
Effect of the Solvent Quadrupolarizability on the Strength of the Hydrogen Bond: Theory vs Data for the Gibbs energy and Enthalpy of Homo- and Heteroassociation between Carboxylic Acids and Water
The Journal of Chemical Physics
(2023)
158
214503
(doi: 10.1063/5.0137052)
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation.
Expert Opin Drug Discov
(2023)
18
881
De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection.
Journal of Infectious Diseases
(2023)
228
723
(doi: 10.1093/infdis/jiad135)
Quantifying collective interactions in biomolecular phase separation
(2023)
(doi: 10.1101/2023.05.31.543137)
