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  • Currently displaying 581 - 600 of 30391 publications
Author(s)
Publication title
Journal Name
Publication year
How reactive is water at the nanoscale and how to control it?
XR Advincula, Y Litman, KD Fong, WC Witt, C Schran, A Michaelides
(2025)
Selective endo-Cyclic α-Functionalization of Saturated N-Alkyl Piperidines
RC Phillips, JCK Chu, AA Rafaniello, MJ Gaunt
The Journal of organic chemistry
(2025)
90
Tunable surface potential nanomaterials for enhanced environmental nucleic acid extraction and surveillance
J Lv, T Li, Y Liu, B Li, P Jia, C Ma, H Xiao, G Wang, L Cheng, J Yang, Z Xu, X Tan, Z Jin, J-X Li, R Li, S Sun, E Huang, P-L Shao, B Zhang
Water Res
(2025)
287
A Dynamic Silver(I) Nanocluster Holds Together a 3 x 3 Self-Assembled Grid
AW Heard, L Pesce, PT Gierth, S Adorinni, TK Ronson, B Rossi, JD Thoburn, T Deingruber, M Welch, DR Spring, S Marchesan, GM Pavan, JR Nitschke
Journal of the American Chemical Society
(2025)
147
Structure-based Generation of a Secondary Nucleation Inhibitor in α-Synuclein Aggregation Using a Conditional Diffusion Model
H Zhang, RI Horne, ZF Brotzakis, C Harris, P Liò, M Vendruscolo
(2025)
Photosystem II-Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry.
H Zhang, W Tian, J Lin, P Zhang, G Shao, SK Ravi, H Sun, E Cortés, V Andrei, S Wang
Advanced materials (Deerfield Beach, Fla.)
(2025)
38
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection.
G Markiewicz, X Qiu, G Avci, EH Wolpert, KE Jelfs, JKM Sanders, AR Stefankiewicz
Journal of the American Chemical Society
(2025)
147
Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders
MD Overath, ASH Rygaard, CP Jacobsen, V Brasas, O Morell, P Sormanni, TP Jenkins
(2025)
Accelerating Biomolecular Modeling with AtomWorks and RF3
N Corley, S Mathis, R Krishna, MS Bauer, TR Thompson, W Ahern, MW Kazman, RI Brent, K Didi, A Kubaney, L McHugh, A Nagle, A Favor, M Kshirsagar, P Sturmfels, Y Li, J Butcher, B Qiang, LL Schaaf, R Mitra, K Campbell, O Zhang, R Weissman, IR Humphreys, Q Cong, J Funk, S Sonthalia, P Liò, D Baker, F DiMaio
bioRxiv
(2025)
Hybrid Stochastic Simulation for Accelerated Modeling of Free Radical and Degenerative Transfer Polymerization
H Yin, Y Li, J Lyu
Macromolecular Theory and Simulations
(2025)
34
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries.
E Latchem, T Kress, MA de h-Óra, A Wang, Q Song, A Forse
ACS Electrochem
(2025)
1
Energy Landscapes of Model Knotted Polymers
T Hao, Y Ge, MA Miller, A L N Francesco, DJ Wales
Computational and Theoretical Chemistry
(2025)
21
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
K Petzall, BJ Rhodes, Y Wang, T Trisukhon, H Kukreja, SA Lim, PJ Milner, AC Forse
(2025)
Celebrating the 60th birthday and achievements of Professor Ulli Steiner
S Guldin, M Kolle, S Vignolini, BD Wilts
Soft Matter
(2025)
21
An accurate and efficient framework for modelling the surface chemistry of ionic materials
BX Shi, AS Rosen, T Schäfer, A Grüneis, V Kapil, A Zen, A Michaelides
Nature Chemistry
(2025)
17
Learning radical excited states from sparse data
J Shen, LE Walker, K Ma, JD Green, H Bronstein, KT Butler, TJH Hele
Chem Sci
(2025)
16
Tumor-Specific STING Agonist Synthesis via a Two-Component Prodrug System
N-S Hsu
(2025)
Correction: Modifying recombinant purple acid phosphatase using computational design
A Venkatramani, M Ali, O Predeina, JC Molloy, P Sormanni, EAH Hall
European biophysics journal : EBJ
(2025)
Design and characterisation of a thin plate heat exchanger for fouling studies
J Brown, SM Clarke, G Kawaley, MJ Sargent, MA Turner, DI Wilson
Heat and Mass Transfer
(2025)
61
Allylic Amination of Alkenyl Alcohols: Simultaneous Control of Chemoselectivity and Enantioselectivity in Nitrene Transfer Using Ion-Paired Catalysts
HK Adams, A Fanourakis, A Dahiya, I Băltăreţu, RJ Phipps
ACS catalysis
(2025)
15