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- Currently displaying 521 - 540 of 29502 publications
The energy landscape of Aβ42: a funnel to disorder for the monomer becomes a folding funnel for self-assembly.
– Chemical communications (Cambridge, England)
(2024)
60,
13574
(doi: 10.1039/d4cc02856b)
Stabilisation of Bromenium Ions in Macrocyclic Halogen Bond Complexes
– Angewandte Chemie
(2024)
137,
e202417427
(doi: 10.1002/ange.202417427)
Interplay of Stereochemistry and Charge Governs Guest Binding in Flexible ZnII4L4 Cages
– J Am Chem Soc
(2024)
146,
32730
(doi: 10.1021/jacs.4c12320)
ASC specks as a single-molecule fluid biomarker of inflammation in neurodegenerative diseases
– Nat Commun
(2024)
15,
9690
(doi: 10.1038/s41467-024-53547-0)
Conformational Pruning via the Permutation Invariant Root Mean Square Deviation of Atomic Positions
(2024)
(doi: 10.26434/chemrxiv-2024-qmcz4)
Distributed direct air capture of carbon dioxide by synergistic water harvesting.
– Nat Commun
(2024)
15,
9745
(doi: 10.1038/s41467-024-53961-4)
Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid-State NMR: The Revolving Power of Ultra-Fast MAS
– Angewandte Chemie International Edition
(2024)
64,
e202408704
(doi: 10.1002/anie.202408704)
AlphaFold-Metainference: Prediction of Structural Ensembles of Disordered Proteins
(2024)
(doi: 10.1101/2024.11.09.622758)
Solid-liquid interfacial free energy from computer simulations:
Challenges and recent advances
(2024)
Inside Back Cover: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. Int. Ed. 1/2025)
– Angewandte Chemie International Edition
(2024)
64,
e202420435
(doi: 10.1002/anie.202420435)
Innenrücktitelbild: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. 1/2025)
– Angewandte Chemie
(2024)
137,
e202420435
(doi: 10.1002/ange.202420435)
Learning the rules of peptide self-assembly through data mining with large language models
(2024)
(doi: 10.48550/arxiv.2411.05421)
HOMs and SOA formation from the oxidation of α- and β-phellandrenes by NO3 radicals
(2024)
(doi: 10.5194/egusphere-2024-3419)
Decreasing the Uncertainty in the Comparison of Molecular Fingerprints of Organic Aerosols with H/D Exchange Mass Spectrometry
– Environmental Science and Technology
(2024)
58,
20468
(doi: 10.1021/acs.est.4c06749)
Global kinetic model of lipid-induced α-synuclein aggregation and its inhibition by small molecules
(2024)
(doi: 10.1101/2024.11.07.622437)
Classification and quantitative characterisation of the excited states of π-conjugated diradicals
– Faraday Discuss
(2024)
254,
107
(doi: 10.1039/d4fd00055b)
Tiled unitary product states for strongly correlated Hamiltonians
– Faraday discussions
(2024)
254,
157
(doi: 10.1039/d4fd00064a)
Orbital optimisation in xTC transcorrelated methods.
– Faraday discussions
(2024)
254,
382
(doi: 10.1039/d4fd00036f)
Rapidly convergent quantum Monte Carlo using a Chebyshev projector.
– Faraday discussions
(2024)
254,
429
(doi: 10.1039/d4fd00035h)
Stochastic and low-scaling techniques: general discussion.
– Faraday discussions
(2024)
254,
451
(doi: 10.1039/d4fd90042a)