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  • Currently displaying 1501 - 1520 of 30057 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)
Assessing the Charge Carrier Dynamics at Hybrid Interfaces of Organic Photoanodes for Solar Fuels
A Wieczorek, Y Liu, H-H Cho, K Sivula
Journal of Physical Chemistry Letters
(2024)
15
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)
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
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
Excited State-Specific CASSCF Theory for the Torsion of Ethylene
S Saade, HGA Burton
J Chem Theory Comput
(2024)
20
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
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
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
Machine-learning structural reconstructions for accelerated point defect calculations
I Mosquera-Lois, SR Kavanagh, AM Ganose, A Walsh
Npj Computational Materials
(2024)
10
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)
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
Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH 2 ) 3 ]Mn(NCS) 3
M Geers, TB Gill, AD Burnett, EN Bassey, O Fabelo, L Cañadillas-Delgado, MJ Cliffe
Physical chemistry chemical physics : PCCP
(2024)
26
Thermodynamically consistent flocking: from discontinuous to continuous transitions
T Agranov, RL Jack, ME Cates, É Fodor
New Journal of Physics
(2024)
26
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
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
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(2024)
Energy landscapes for the quantum approximate optimization algorithm
C Boy, D Wales
Physical Review A
(2024)
109