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  • Currently displaying 2021 - 2040 of 31514 publications
Author(s)
Publication title
Journal Name
Publication year
Guest editorial: Special Topic on software for atomistic machine learning
M Rupp, E Küçükbenli, G Csányi
The Journal of chemical physics
(2024)
161
Energy Landscapes of Hybrid Potentials Based on NMR Data
Y Wang
(2024)
Nano-org, a functional resource for single-molecule localisation microscopy data
S Shirgill, DJ Nieves, JA Pike, MA Ahmed, MHH Baragilly, K Savoye, J Worboys, KS Hazime, A Garcia, DJ Williamson, P Rubin-Delanchy, R Peters, DM Davis, R Henriques, SF Lee, DM Owen
(2024)
Gold(III)-Induced Amide Bond Cleavage In Vivo: A Dual Release Strategy via π-Acid Mediated Allyl Substitution
VB Unnikrishnan, V Sabatino, F Amorim, MF Estrada, CD Navo, G Jimenez-Oses, R Fior, GJL Bernardes
Journal of the American Chemical Society
(2024)
146
Developing and Investigating the Scope of Quinone-Functionalised Carbons for Electrochemical Carbon Dioxide Capture
N Hartley
(2024)
Distance-Independent Efficiency of Triplet Energy Transfer from π-Conjugated Organic Ligands to Lanthanide-Doped Nanoparticles.
L van Turnhout, DG Congrave, Z Yu, R Arul, SA Dowland, E Sebastian, Z Jiang, H Bronstein, A Rao
Journal of the American Chemical Society
(2024)
146
Dominance analysis to assess solute contributions to multicomponent phase equilibria
D Qian, H Ausserwoger, T Sneideris, M Farag, RV Pappu, TPJ Knowles
Proc Natl Acad Sci U S A
(2024)
121
Oxygen Redox in Alkali-Ion Battery Cathodes
AS Menon, MJW Ogley, AR Genreith-Schriever, CP Grey, LFJ Piper
Annual Review of Materials Research
(2024)
54
Bayesian reweighting of biomolecular structural ensembles using heterogeneous cryo-EM maps with the cryoENsemble method
T Włodarski, JO Streit, A Mitropoulou, LD Cabrita, M Vendruscolo, J Christodoulou
Scientific Reports
(2024)
14
Updating the radiation infrastructure in MESSy (based on MESSy version 2.55)
M Nützel, L Stecher, P Jöckel, F Winterstein, M Dameris, M Ponater, P Graf, M Kunze
Geoscientific Model Development
(2024)
17
HSPB6: A lipid-dependent molecular chaperone inhibits α-synuclein aggregation.
V Secco, T Tiago, R Staats, S Preet, S Chia, M Vendruscolo, S Carra
iScience
(2024)
27
Point-Defect Segregation and Space-Charge Potentials at the Σ5(310)[001] Grain Boundary in Ceria
AL Usler, HJ Heelweg, RA De Souza, AR Genreith-Schriever
Solids
(2024)
5
Solar-driven Methanogenesis through Microbial Ecosystem Engineering on Carbon Nitride.
S Kalathil, M Rahaman, E Lam, TL Augustin, HF Greer, E Reisner
Angew Chem Int Ed Engl
(2024)
63
Energy landscapes for clusters of hexapeptides.
Nicy, JWR Morgan, DJ Wales
The Journal of chemical physics
(2024)
161
Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: Translational eigenstates of Ne@C70
K Panchagnula, D Graf, ER Johnson, AJW Thom
The Journal of chemical physics
(2024)
161
Harvesting photocurrents from cyanobacteria and algae
EI Wroe, RM Egan, SJ Willyam, L Shang, JZ Zhang
Current Opinion in Electrochemistry
(2024)
46
Multi-Stimuli-Responsive Network of Multicatalytic Reactions using a Single Palladium/Platinum Catalyst.
G Kurpik, A Walczak, P Dydio, AR Stefankiewicz
Angew Chem Int Ed Engl
(2024)
63
Probing the role of the so-called inactive transition metal in conversion reactions: Not so inactive!
KE Johnston, A Darwiche, L Stievano, KJ Griffith, N Dupré, CP Grey, L Monconduit
Energy Storage Materials
(2024)
71
H2O ices in the Solar System
CG Salzmann, A Amon, ST Bramwell, CL Bull, B Chikani, MB Davies, MG Fox-Powell, H Fraser, SO Halukeerthi, RE Hamp, M Hart, P Harvey, TF Headen, A Michaelides, BJ Murray, LC Pardo, A Rosu-Finsen, A Sella, Z Sharif, JJ Shephard, B Slater, SK Talewar, H Wu
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2024)
80
Oxygen Dimerization as a Defect-Driven Process in Bulk LiNiO2.
AG Squires, L Ganeshkumar, CN Savory, SR Kavanagh, DO Scanlon
ACS Energy Lett
(2024)
9