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  • Currently displaying 1641 - 1660 of 30279 publications
Author(s)
Publication title
Journal Name
Publication year
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters.
BX Shi, DJ Wales, A Michaelides, CW Myung
Journal of chemical theory and computation
(2024)
20
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
Nat Chem
(2024)
16
Calibrated prediction of scarce adverse drug reaction labels with conditional neural processes
M Garcia-Ortegon, S Seal, S Singh, A Bender, S Bacallado
(2024)
Discovering classical spin liquids by topological search of high symmetry nets
JAM Paddison, MJ Cliffe
(2024)
Biomolecular condensates with complex architectures via controlled nucleation
NA Erkamp, MAM Verwiel, D Qian, T Sneideris, FA Spaepen, DA Weitz, JCM van Hest, TPJ Knowles
Nature Chemical Engineering
(2024)
1
Assessing the Charge Carrier Dynamics at Hybrid Interfaces of Organic Photoanodes for Solar Fuels
A Wieczorek, Y Liu, H-H Cho, K Sivula
The journal of physical chemistry letters
(2024)
15
Improved Detection of Drug-Induced Liver Injury by Integrating Predictedin vivoandin vitroData
S Seal, DP Williams, L Hosseini-Gerami, M Mahale, AE Carpenter, O Spjuth, A Bender
(2024)
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
Excited State-Specific CASSCF Theory for the Torsion of Ethylene.
S Saade, HGA Burton
Journal of Chemical Theory and Computation
(2024)
20
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
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
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
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
Chemical reviews
(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
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 : PCCP
(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
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)