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- Currently displaying 241 - 260 of 29245 publications
An accurate and efficient framework for modelling the surface chemistry of ionic materials
Nat Chem
(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)
Correction: Modifying recombinant purple acid phosphatase using computational design
European Biophysics Journal
(2025)
1
(doi: 10.1007/s00249-025-01792-6)
Design and characterisation of a thin plate heat exchanger for fouling studies
Heat and Mass Transfer
(2025)
61
75
(doi: 10.1007/s00231-025-03592-2)
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)
Classification of Tauopathies from Human Brain Homogenates through Salt-Modulated Tau Amplification
(2025)
(doi: 10.1101/2025.08.05.25331458)
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface.
J Am Chem Soc
(2025)
147
30107
(doi: 10.1021/jacs.5c07827)
Overhauser dynamic nuclear polarization effect in alkali metals
Physical review B (PRB)
(2025)
112
1
(doi: 10.1103/tpch-2ftn)
Pore Network Tortuosity Controls Fast-Charging in Supercapacitors
(2025)
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 Modulation of Biomolecular Condensates.
J Am Chem Soc
(2025)
147
28558
(doi: 10.1021/jacs.5c06625)
Structural and Gas Uptake Studies on Iron(II) β-Diketiminate Metallomacrocycles
Organometallics
(2025)
44
1713
SCoTCH- seq reveals that 5-hydroxymethylcytosine encodes regulatory information across DNA strands
Proceedings of the National Academy of Sciences of the United States of America
(2025)
122
e2512204122
(doi: 10.1073/pnas.2512204122)
Collinear Jahn-Teller Ordering Induces Monoclinic Distortion in "Defect-Free" LiNiO2
Journal of the American Chemical Society
(2025)
147
29042
(doi: 10.1021/jacs.5c07435)
Understanding the Photophysical Properties of the Polyoxotitanates Ln2Ti4O6(phen)2(met)10
Inorganic chemistry
(2025)
64
16461
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)
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)
Mechanistic Diversity in the Reactive Adsorption of Chlorine Trifluoride on Monohydrogenated Silicon
Phys Chem Chem Phys
(2025)
27
15872
(doi: 10.1039/d5cp01331c)
Diffusing protein binders to intrinsically disordered proteins.
Nature
(2025)
644
809
(doi: 10.1038/s41586-025-09248-9)