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- Currently displaying 2241 - 2260 of 29614 publications
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)
Optimizing Jastrow factors for the transcorrelated method.
The Journal of Chemical Physics
(2023)
158
224105
(doi: 10.1063/5.0147877)
WITHDRAWN: Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736]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 FeII 4L4 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)
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.
Biotechnology advances
(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" (vol 127, pg 3032, 2023)
Journal of Physical Chemistry C
(2023)
127
11419
(doi: 10.1021/acs.jpcc.3c03075)
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers
Chemical science
(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)
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)
De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection
The Journal of infectious diseases
(2023)
228
723
(doi: 10.1093/infdis/jiad135)
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 Opinion on Drug Discovery
(2023)
18
881
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
Quantifying collective interactions in biomolecular phase separation
(2023)
(doi: 10.1101/2023.05.31.543137)
Merging Bioactivity Predictions from Cell Morphology and Chemical Fingerprint Models Using Similarity to Training Data
Journal of Cheminformatics
(2023)
15
56
(doi: 10.1186/s13321-023-00723-x)
Global sensitivities of reactive N and S gas and particle concentrations and deposition to precursor emissions reductions
Atmospheric Chemistry and Physics
(2023)
23
6083
(doi: 10.5194/acp-23-6083-2023)