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  • Currently displaying 2081 - 2100 of 30378 publications
Author(s)
Publication title
Journal Name
Publication year
On the Global Minimum of the Classical Potential Energy for Clusters Bound by Many-Body Forces
MK-H Kiessling, DJ Wales
Journal of Statistical Physics
(2024)
191
Factors Enabling Delocalized Charge-Carriers in Pnictogen-Based Solar Absorbers: In-depth Investigation into CuSbSe2
Y Fu, H Lohan, M Righetto, Y-T Huang, SR Kavanagh, C-W Cho, SJ Zelewski, YW Woo, H Demetriou, MA McLachlan, S Heutz, BA Piot, DO Scanlon, A Rao, LM Herz, A Walsh, RLZ Hoye
(2024)
Combining experiment and energy landscapes to explore anaerobic heme breakdown in multifunctional hemoproteins
AD Keith, EB Sawyer, DCY Choy, Y Xie, GS Biggs, OJ Klein, PD Brear, DJ Wales, PD Barker
Phys Chem Chem Phys
(2024)
26
The Design, Synthesis and in vitro Evaluation of Proteolysis Targeting Chimeras (PROTACs) for the Degradation of Protein Arginine Methyltransferase 1
P Martin
(2024)
Chemical Reaction Dynamics under Vibrational Strong Coupling
AC Hunt
(2024)
From pixels to phenotypes: Integrating image-based profiling with cell health data as BioMorph features improves interpretability.
S Seal, J Carreras-Puigvert, S Singh, AE Carpenter, O Spjuth, A Bender
Mol Biol Cell
(2024)
35
Every atom counts: predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
Digital Discovery
(2024)
3
Effect of Cooling Rate and Molecular Weight on the Non- Isothermal Crystallization of Polyethylene
T Hao, X Li, DJ Wales, Y Ming, Y Nie, Z Zhou, D Yan
(2024)
Insights into machine learning models from chemical physics: an energy landscapes approach (EL for ML)
MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales
Digital Discovery
(2024)
3
Improving long-term capacity retention of NMC811 via lithium aluminate coatings using mixed-metal alkoxides
V Riesgo-González, CA O'Keefe, CP Grey, DS Wright
Journal of Materials Chemistry A
(2024)
12
The effect of interface heterogeneity on zinc metal anode cyclability
JT Simon, V Šedajová, D Tripathy, HE Smith, SM Clarke, CP Grey, S Menkin
Journal of Materials Chemistry A
(2024)
12
Efficient and highly biocompatible 8-arm PEG-Chlorin e6 nanosystems for 2-photon photodynamic therapy of adrenergic disorders
NS Potter, Z Wang, EC Bornowski, SD Swanson, JP Wolfe, A McLean, R Kopelman
Materials Advances
(2024)
5
Small Molecules and Their Conjugates with Peptides: Chemical Strategies to Tackle Resistant Bacteria
T Deingruber
(2024)
Negative cooperativity in the formation of H-bond networks involving primary anilines
FE Hanna, AJ Root, M Schade, CA Hunter
Chemical Science
(2024)
15
Jobflow: Computational Workflows Made Simple
AS Rosen, M Gallant, J George, J Riebesell, H Sahasrabuddhe, J-X Shen, M Wen, ML Evans, G Petretto, D Waroquiers, G-M Rignanese, KA Persson, A Jain, AM Ganose
Journal of Open Source Software
(2024)
9
Complexes of Counterion-Trapped Molecules: Extreme Polarity, Rich IR-Activity, and Internal-Field Moderated Transformations
FY Naumkin, M Sullivan, DJ Wales
(2024)
34
Red-light modulated ortho -chloro azobenzene photoswitch for peptide stapling via aromatic substitution
M Kapun, FJ Pérez-Areales, N Ashman, PJE Rowling, T Schober, E Fowler, LS Itzhaki, DR Spring
RSC Chemical Biology
(2024)
5
Understanding improved capacity retention at 4.3 V in modified single crystal Ni-rich NMC//graphite pouch cells at elevated temperature
GJ Páez Fajardo, M Belekoukia, S Bolloju, E Fiamegkou, AS Menon, Z Ruff, Z Shen, N Shah, E Björklund, MJ Zuba, T-L Lee, PK Thakur, RS Weatherup, A Aguadero, MJ Loveridge, CP Grey, LFJ Piper
Rsc Applied Interfaces
(2024)
1
Tuning the mechanical properties of molecular perovskites by controlling framework distortions via A-site substitution
SM Kronawitter, S Park, SA Hallweger, E Myatt, J Pitcairn, MJ Cliffe, D Daisenberger, M Drees, G Kieslich
Materials Advances
(2024)
5
Spin-state dependent pressure responsiveness of Fe( ii )-based triazolate metal–organic frameworks
SM Kronawitter, R Röβ-Ohlenroth, SA Hallweger, M Hirrle, H-A Krug von Nidda, T Luxenhofer, E Myatt, J Pitcairn, MJ Cliffe, D Daisenberger, J Wojciechowski, D Volkmer, G Kieslich
Journal of Materials Chemistry C
(2024)
12