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- Currently displaying 361 - 380 of 29681 publications
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
(2025)
(doi: 10.26434/chemrxiv-2025-qclfl)
Accelerating Biomolecular Modeling with AtomWorks and RF3
bioRxiv
(2025)
2025.08.14.670328
(doi: 10.1101/2025.08.14.670328)
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries.
ACS Electrochem
(2025)
1
2071
Energy Landscapes of Model Knotted Polymers.
Journal of Chemical Theory and Computation
(2025)
21
8168
(doi: 10.1021/acs.jctc.5c01005)
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
(2025)
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)
(doi: 10.17863/CAM.124674)
Correction: Modifying recombinant purple acid phosphatase using computational design
Eur Biophys J
(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)
Overhauser dynamic nuclear polarization in alkali metals
Physical review B (PRB)
(2025)
112
1
(doi: 10.1103/tpch-2ftn)
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)
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
Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods
The 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)