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- Currently displaying 701 - 720 of 30703 publications
Energy Landscapes of Model Knotted Polymers
Journal of Chemical Theory and Computation
(2025)
21
8168
(doi: 10.1021/acs.jctc.5c01005)
Hybrid Stochastic Simulation for Accelerated Modeling of Free Radical and Degenerative Transfer Polymerization
Macromolecular Theory and Simulations
(2025)
34
e00062
(doi: 10.1002/mats.202500062)
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)
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 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)
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)
Neurotransmitter-endcapped poly(β-amino estate) for enhanced DNA delivery to the brain through intravenous injection.
International journal of biological macromolecules
(2025)
322
146660
Overhauser dynamic nuclear polarization effect in alkali metals
Physical Review B
(2025)
112
1
(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)
Berberine mitigates neurotoxicity of misfolded protein oligomers by interacting with the cell membrane and subsequent internalization, without altering their structure
International journal of biological macromolecules
(2025)
322
146398
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)
Spectroscopic Signatures of Structural Disorder and Electron-Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting
(2025)
(doi: 10.48550/arxiv.2507.23647)