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  • Currently displaying 1581 - 1600 of 30179 publications
Author(s)
Publication title
Journal Name
Publication year
Discovering classical spin liquids by topological search of high symmetry nets
JAM Paddison, MJ Cliffe
(2024)
Harnessing Maxwell's demon to establish a macroscale concentration gradient
J Pruchyathamkorn, B-NT Nguyen, AB Grommet, M Novoveska, TK Ronson, JD Thoburn, JR Nitschke
Nature chemistry
(2024)
16
Identification of high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using Deep Docking
M Vendruscolo, M Brezinova, ZF Brotzakis, R Horne, VR Chowdhury, R Gregory, F Gentile
(2024)
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data
S Seal, DP Williams, L Hosseini-Gerami, M Mahale, AE Carpenter, O Spjuth, A Bender
(2024)
Fragment-Based Discovery of Novel MUS81 Inhibitors
GW Collie, U Börjesson, Y Chen, Z Dong, P Di Fruscia, A Gohlke, A Hoyle, TA Hunt, MH Jesani, H Luo, J Luptak, AG Milbradt, P Narasimhan, M Packer, S Patel, J Qiao, RI Storer, CJ Stubbs, J Tart, C Truman, AT Wang, MG Wheeler, J Winter-Holt
ACS Medicinal Chemistry Letters
(2024)
15
Li-Site Defects Induce Formation of Li-Rich Impurity Phases: Implications for Charge Distribution and Performance of LiNi0.5−xMxMn1.5O4 Cathodes (M = Fe and Mg; x = 0.05–0.2)
BE Murdock, J Cen, AG Squires, SR Kavanagh, DO Scanlon, L Zhang, N Tapia-Ruiz
Adv Mater
(2024)
36
Global agricultural N2O emission reduction strategies deliver climate benefits with minimal impact on stratospheric O3 recovery
J Weber, J Keeble, NL Abraham, DJ Beerling, MV Martin
Npj Climate and Atmospheric Science
(2024)
7
Fourfold increase in photocurrent generation of Synechocystis sp. PCC 6803 by exopolysaccharide deprivation
LT Wey, EI Wroe, V Sadilek, L Shang, X Chen, JZ Zhang, CJ Howe
Electrochimica Acta
(2024)
497
Excited State-Specific CASSCF Theory for the Torsion of Ethylene
S Saade, HGA Burton
Journal of Chemical Theory and Computation
(2024)
20
Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
IC Popoola, BX Shi, F Berger, A Zen, D Alfè, A Michaelides, YS Al-Hamdani, .
(2024)
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
AV Solov'yov, AV Verkhovtsev, NJ Mason, RA Amos, I Bald, G Baldacchino, B Dromey, M Falk, J Fedor, L Gerhards, M Hausmann, G Hildenbrand, M Hrabovský, S Kadlec, J Kočišek, F Lépine, S Ming, A Nisbet, K Ricketts, L Sala, T Schlathölter, AEH Wheatley, IA Solov'yov
Chem Rev
(2024)
124
Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3.
M Geers, TB Gill, AD Burnett, EN Bassey, O Fabelo, L Cañadillas-Delgado, MJ Cliffe
Physical Chemistry Chemical Physics
(2024)
26
Cubic double perovskites host noncoplanar spin textures
JAM Paddison, H Zhang, J Yan, MJ Cliffe, MA McGuire, S-H Do, S Gao, MB Stone, D Dahlbom, K Barros, CD Batista, AD Christianson
Npj Quantum Materials
(2024)
9
Machine-learning structural reconstructions for accelerated point defect calculations
I Mosquera-Lois, SR Kavanagh, AM Ganose, A Walsh
npj Computational Materials
(2024)
10
Capturing carbon dioxide from air with charged-sorbents
H Li, ME Zick, T Trisukhon, M Signorile, X Liu, H Eastmond, S Sharma, TL Spreng, J Taylor, JW Gittins, C Farrow, SA Lim, V Crocellà, PJ Milner, AC Forse
Nature
(2024)
630
Thermodynamically consistent flocking: from discontinuous to continuous transitions
T Agranov, RL Jack, ME Cates, É Fodor
New Journal of Physics
(2024)
26
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(2024)
Stimulating Creativity Through Cognitive Symmetry Breaking: Tagorean Theory of Sustainable Human Development
S Ghosh
(2024)
Energy Landscapes and Structural Ensembles of Glucagon-like Peptide‑1 Monomers
AD Keith, EP Brichtová, JG Barber, DJ Wales, SE Jackson, K Röder
The journal of physical chemistry. B
(2024)
128
Quasi-Solid-State Electrolyte Induced by Metallic MoS2 for Lithium–Sulfur Batteries
Z Li, ZJ Yang, J Moloney, CP Yu, M Chhowalla
ACS nano
(2024)
18