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- Currently displaying 21 - 40 of 29564 publications
Prediction of Protein-Ligand Binding Affinities Using Atomic Surface Site Interaction Points.
Journal of Chemical Information and Modeling
(2026)
66
1097
(doi: 10.1021/acs.jcim.5c02628)
To Be or Not to Be: The Elusive Nature of Wheland-type Intermediates in Zeolite-Catalyzed Aromatic Alkylation Revealed by CCSD(T)-quality Metadynamics
(2026)
(doi: 10.26434/chemrxiv-2026-2krfd)
17O-1H correlation NMR spectroscopy provides accessible and direct insights into CO2 capture chemistry
(2026)
(doi: 10.26434/chemrxiv-2026-kd8l2)
Weak unitary symmetries of open quantum dynamics: beyond quantum master equations
New Journal of Physics
(2026)
(doi: 10.1088/1367-2630/ae34da)
Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market.
Nature communications
(2026)
17
647
(doi: 10.1038/s41467-025-67374-4)
Two optimized methods for the quantification of anthropogenic and biogenic markers in aerosol samples using liquid chromatography mass spectrometry and gas chromatography mass spectrometry
Atmospheric Measurement Techniques
(2026)
19
1
(doi: 10.5194/amt-19-1-2026)
Steric Bulk Controls Δ/Λ Handedness Enabling Stereodivergent Self-Assembly of Fe<sup>II</sup><sub>2</sub>L<sub>3</sub> Cages.
Inorganic chemistry
(2026)
65
1038
Biomaterials with droplet microfluidics
Nature Reviews Bioengineering
(2026)
1
(doi: 10.1038/s44222-025-00389-0)
Light-Controlled Functions with Metal-Organic Capsules: From Guest Release to Catalysis, Separation, and Molecular Transport.
Accounts of chemical research
(2026)
59
372
(doi: 10.1021/acs.accounts.5c00790)
Deletion of the moeA gene in Flavobacterium IR1 drives structural color shift from green to blue and alters polysaccharide metabolism
(2026)
(doi: 10.7554/elife.105029)
Synthesis of halogen bonding and crown ether-functionalised Ni(ii)-salen receptors for cation, anion and ion-pair recognition
New Journal of Chemistry
(2026)
50
621
(doi: 10.1039/d5nj04351d)
Ultrasensitive Detection of Cu(II) Ions using Iodide-Driven AgNPs-Based Nanosensor Integrated with an AND Logic Gate Processing
Physica E Low-dimensional Systems and Nanostructures
(2026)
116470
(doi: 10.1016/j.physe.2026.116470)
Influence of precursor type on NMC811 cathode material properties: insights from spray pyrolysis synthesis and in situ XRD analysis
Journal of Materials Chemistry A
(2026)
(doi: 10.1039/d5ta08678g)
Nanomedical approaches to deplete intracellular glutathione in oncology
Chemical Science
(2026)
(doi: 10.1039/d5sc09556e)
Comparative stability of the solid electrolyte interphase in potassium and sodium batteries
Energy Advances
(2026)
(doi: 10.1039/d5ya00173k)
Encoding molecular structures in quantum machine learning
Machine Learning Science and Technology
(2025)
6
045076
(doi: 10.1088/2632-2153/ae304f)
Benchmarking Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective Inhibition
(2025)
(doi: 10.64898/2025.12.29.696816)
Charge Regulation Enables Uptake of Ampholytes to Polyelectrolyte Brushes.
ACS Macro Letters
(2025)
15
102
(doi: 10.1021/acsmacrolett.5c00669)
Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos
Angewandte Chemie International Edition
(2025)
e20698
(doi: 10.1002/anie.202520698)
Cryo-EM structures of NHEJ assemblies with nucleosomes.
Nature communications
(2025)
17
648
(doi: 10.1038/s41467-025-67376-2)
