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- Currently displaying 261 - 280 of 29293 publications
Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders
(2025)
(doi: 10.1101/2025.08.14.670059)
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries
ACS electrochemistry
(2025)
1
2071
Energy Landscapes of Model Knotted Polymers
Journal of chemical theory and computation
(2025)
21
8168
(doi: 10.1021/acs.jctc.5c01005)
Celebrating the 60th birthday and achievements of Professor Ulli Steiner
Soft matter
(2025)
21
6335
(doi: 10.1039/d5sm90096d)
An accurate and efficient framework for modelling the surface chemistry of ionic materials.
Nature Chemistry
(2025)
17
1688
(doi: 10.1038/s41557-025-01884-y)
Learning radical excited states from sparse data
Chemical science
(2025)
16
17356
(doi: 10.1039/d5sc04276c)
Tumor-Specific STING Agonist Synthesis via a Two-Component Prodrug System
(2025)
Design and Characterisation of a Thin Plate Heat Exchanger for Fouling Studies
Heat and Mass Transfer/Waerme- und Stoffuebertragung
(2025)
61
75
(doi: 10.1007/s00231-025-03592-2)
Correction to: Modifying recombinant purple acid phosphatase using computational design (European Biophysics Journal, (2025), 10.1007/s00249-025-01779-3)
European Biophysics Journal
(2025)
1
(doi: 10.1007/s00249-025-01792-6)
Allylic Amination of Alkenyl Alcohols: Simultaneous Control of Chemoselectivity and Enantioselectivity in Nitrene Transfer Using Ion-Paired Catalysts.
ACS catalysis
(2025)
15
14639
(doi: 10.1021/acscatal.5c04140)
Overhauser dynamic nuclear polarization in alkali metals
Physical Review B
(2025)
112
054419
(doi: 10.1103/tpch-2ftn)
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride–Water Interface
Journal of the American Chemical Society
(2025)
147
30107
(doi: 10.1021/jacs.5c07827)
Pore Network Tortuosity Controls Fast-Charging in Supercapacitors
(2025)
(doi: 10.26434/chemrxiv-2024-rjgwd)
Geometric direct minimization for low-spin restricted open-shell Hartree-Fock
(2025)
(doi: 10.48550/arxiv.2507.23127)
A Charge-Driven Strategy for Covalent Modification and Modula- tion of Biomolecular Condensates
Journal of the American Chemical Society
(2025)
147
28558
(doi: 10.1021/jacs.5c06625)
Structural and Gas Uptake Studies on Iron(II) β-Diketiminate Metallomacrocycles
Organometallics
(2025)
44
1713
Understanding the Photophysical Properties of the Polyoxotitanates Ln2Ti4O6(phen)2(met)10.
Inorganic chemistry
(2025)
64
16461
Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods
Journal of Physical Chemistry C
(2025)
129
14418
(doi: 10.1021/acs.jpcc.5c04695)
SCoTCH-seq reveals that 5-hydroxymethylcytosine encodes regulatory information across DNA strands
Proc Natl Acad Sci U S A
(2025)
122
e2512204122
(doi: 10.1073/pnas.2512204122)
Opinion: The role of AerChemMIP in advancing climate and air quality research
Atmospheric Chemistry and Physics
(2025)
25
8289
(doi: 10.5194/acp-25-8289-2025)