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  • Currently displaying 1101 - 1120 of 29308 publications
Author(s)
Publication title
Journal Name
Publication year
i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations
Y Litman, V Kapil, YMY Feldman, D Tisi, T Begušić, K Fidanyan, G Fraux, J Higer, M Kellner, TE Li, ES Pós, E Stocco, G Trenins, B Hirshberg, M Rossi, M Ceriotti
J Chem Phys
(2024)
161
Predictions of the interfacial free energy along the coexistence line from single-state calculations
I Sanchez-Burgos, PMD Hijes, E Sanz, C Vega, JR Espinosa
(2024)
Competing addition processes give distinct growth regimes in the assembly of 1D filaments
SA Akram, T Brown, S Whitelam, G Meisl, TPJ Knowles, JD Schmit
(2024)
New Insights into the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption
G Mapstone, TM Kamsma, Z Xu, PK Jones, AA Lee, I Temprano, J Lee, M De Volder, AC Forse
(2024)
Investigating the Phase Behaviour of the Alzheimer’s Amyloid-β Peptide
O Morris
(2024)
Revealing Ion Adsorption and Charging Mechanisms in Layered Metal-Organic Framework Supercapacitors with Solid-State Nuclear Magnetic Resonance.
CJ Balhatchet, JW Gittins, S-J Shin, K Ge, X Liu, T Trisukhon, S Sharma, T Kress, P-L Taberna, P Simon, A Walsh, AC Forse
Journal of the American Chemical Society
(2024)
146
Metal Ions Trigger the Gelation of Cysteine‐Containing Peptide‐Appended Coordination Cages
M Li, H Zhu, S Adorinni, W Xue, A Heard, AM Garcia, S Kralj, JR Nitschke, S Marchesan
Angewandte Chemie
(2024)
136
A Fragment‐Based Competitive 19F LB‐NMR Platform For Hotspot‐Directed Ligand Profiling
WJ McCarthy, SE Thomas, T Olaleye, JA Boland, RA Floto, G Williams, TL Blundell, AG Coyne, C Abell
Angewandte Chemie
(2024)
136
AlphaFold2-based prediction of the co- condensation propensity of proteins
S Zhang, CM Lim, M Occhetta, M Vendruscolo
Proc Natl Acad Sci U S A
(2024)
121
Towards automatically verifying chemical structures: the powerful combination of ¹H NMR and IR spectroscopy
R Lewis, B Rowlands, L Jonsson, J Goodman, P Howe, W Czechtizky, T Leek
(2024)
Energy Landscapes of Hybrid Potentials Based on NMR Data
Y Wang
(2024)
Understanding Surface Degradation Mechanisms in Ni-Rich Cathodes for Li-Ion Batteries
D Nayak, F Sayed, AJ Lovett, H Joo, V Daramalla, A Mahadevegowda, LAV Nagle-Cocco, C Ducati, B Spencer, C Pickard, CP Grey, JL Driscoll, S Dutton
ECS Meeting Abstracts
(2024)
MA2024-01
Deconvoluting Surface Modification Effects on Flow Battery Electrode Performance by Impedance Spectroscopy
E Saunders, CP Grey, MFL De Volder
ECS Meeting Abstracts
(2024)
MA2024-01
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
J Am Chem Soc
(2024)
146
Protons accumulate at the graphene-water interface
XR Advincula, KD Fong, A Michaelides, C Schran
(2024)
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
J Am Chem Soc
(2024)
146
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
Dominance analysis to assess solute contributions to multicomponent phase equilibria.
D Qian, H Ausserwoger, T Sneideris, M Farag, RV Pappu, TPJ Knowles
Proceedings of the National Academy of Sciences
(2024)
121
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