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  • Currently displaying 3041 - 3060 of 31514 publications
Author(s)
Publication title
Journal Name
Publication year
Evaluation of the MACE force field architecture: From medicinal chemistry to materials science
DP Kovács, I Batatia, ES Arany, G Csányi
Journal of Chemical Physics
(2023)
159
Machine learning in predictive toxicology: investigating developmental and reproductive toxicity with transfer learning
M Wang
(2023)
The Zintl Concept Applied to Intergrowth Structures: Electron‐Hole Matching, Stacking Preferences, and Chemical Pressures in Pd5InAs
JD Kraus, JS Van Buskirk, DC Fredrickson
Zeitschrift für anorganische und allgemeine Chemie
(2023)
649
Carbon nitride based materials: more than just a support for single-atom catalysis
GFSR Rocha, MAR da Silva, A Rogolino, GAA Diab, LFG Noleto, M Antonietti, IF Teixeira
Chemical Society Reviews
(2023)
52
Mechanochemical Synthesis and Thin-Film Deposition of Zero-Dimensional Cesium Lead Mixed-Halide Perovskites for Wide-Range Color-Tunable Emission
H Lim, K-Y Baek, JI Kim, J Lee, J Kim, H Ahn, H Choi, S-J Woo, SK Lee, T-W Lee, J Lee, K Kang, T Lee
Chemistry of Materials
(2023)
35
Developments in White Pigment Production Using Biocompatible Cellulose-Based Materials
Y Zhang
(2023)
Targeted protein modification with an antibody-based system
O Rimon, J Konc, M Ali, VR Chowdhury, I Černauskienė, P Sormanni, GJL Bernardes, M Vendruscolo
(2023)
Self-assembly of natural polymers with graphene to form hierarchical nanocomposites for bioelectronics
J Lacey
(2023)
Exact electronic states with shallow quantum circuits from global optimisation
HGA Burton, D Marti-Dafcik, DP Tew, DJ Wales
npj Quantum Information
(2023)
9
Machine-learned acceleration for molecular dynamics in CASTEP
TK Stenczel, Z El-Machachi, G Liepuoniute, JD Morrow, AP Bartók, MIJ Probert, G Csányi, VL Deringer
The Journal of chemical physics
(2023)
159
Li iontronics in single-crystalline T-Nb2O5 thin films with vertical ionic transport channels
H Han, Q Jacquet, Z Jiang, FN Sayed, J-C Jeon, A Sharma, AM Schankler, A Kakekhani, HL Meyerheim, J Park, SY Nam, KJ Griffith, L Simonelli, AM Rappe, CP Grey, SSP Parkin
Nat Mater
(2023)
22
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
S-J Shin, J Gittins, C Balhatchet, A Walsh, A Forse
(2023)
Electrohydrodynamic convection instabilities observed in suspensions of cellulose nanocrystals
B Frka-Petesic, B Jean, L Heux
Cellulose
(2023)
30
On the Mechanism of Polaritonic Rate Suppression from Quantum Transition Paths
MC Anderson, EJ Woods, TP Fay, DJ Wales, DT Limmer
The journal of physical chemistry letters
(2023)
14
Unrepaired Base Excision Repair Intermediates in Template DNA Strands Trigger Replication Fork Collapse and PARP Inhibitor Sensitivity
A Serrano-Benitez, SE Wells, L Drummond-Clarke, LC Russo, JC Thomas, GA Leal, M Farrow, JM Edgerton, S Balasubramanian, M Yang, C Frezza, A Gautam, J Brazina, K Burdova, NC Hoch, SP Jackson, KW Caldecott
The EMBO journal
(2023)
42
Cooperative Carbon Dioxide Capture in Diamine-Appended Magnesium–Olsalazine Frameworks
Z Zhu, ST Parker, AC Forse, J-H Lee, RL Siegelman, PJ Milner, H Tsai, M Ye, S Xiong, MV Paley, AA Uliana, J Oktawiec, B Dinakar, SA Didas, KR Meihaus, JA Reimer, JB Neaton, JR Long
J Am Chem Soc
(2023)
145
Squaramide-Based Heteroditopic [2]Rotaxanes for Sodium Halide Ion-Pair Recognition.
A Arun, A Docker, H Min Tay, PD Beer
Chemistry – A European Journal
(2023)
29
3D Macrocyclic Structure Boosted Gene Delivery: Multi-Cyclic Poly(β-Amino Ester)s from Step Growth Polymerization.
Y Li, X Wang, Z He, M Johnson, S A, I Lara-Sáez, J Lyu, W Wang
J Am Chem Soc
(2023)
145
The photoredox-catalysed generation and reaction of alkyl α-amino radicals for α-tertiary amine synthesis
G Harris
(2023)
Mechano-dependent sorbitol accumulation supports biomolecular condensate
S Torrino, WM Oldham, AR Tejedor, IS Burgos, N Rachedi, K Fraissard, C Chauvet, C Sbai, BP O'Hara, S Abélanet, F Brau, S Clavel, R Collepardo-Guevara, JR Espinosa, I Ben-Sahra, T Bertero
(2023)