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  • Currently displaying 3261 - 3280 of 30598 publications
Author(s)
Publication title
Journal Name
Publication year
Chapter 5 Computer experiments
D Frenkel, B Smit
(2023)
Exploring the chemical space of phenyl sulfide oxidation by automated optimization
P Mueller, A Vriza, AD Clayton, OS May, N Govan, S Notman, SV Ley, TW Chamberlain, RA Bourne
Reaction Chemistry & Engineering
(2023)
8
Understanding the limits of Li-NMC811 half-cells
RC McNulty, E Hampson, LN Cutler, CP Grey, WM Dose, LR Johnson
Journal of Materials Chemistry A
(2023)
11
Pseudocapacitive gels based on conjugated polyelectrolytes: thickness and ion diffusion limitations
RJ Vázquez, G Quek, Y Jiang, BY Rui Peng, SR McCuskey, D Ohayon, B Kundukad, X Wang, GC Bazan
Journal of Materials Chemistry A
(2023)
11
Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
PMD Hijes, JR Espinosa, C Vega, C Dellago
(2022)
Ultrahigh-Throughput Directed Evolution of a Metal-Free α/β-Hydrolase with a Cys-His-Asp Triad into an Efficient Phosphotriesterase.
JD Schnettler, OJ Klein, TS Kaminski, P-Y Colin, F Hollfelder
Journal of the American Chemical Society
(2022)
145
Tie-Line Analysis Reveals Interactions Driving Heteromolecular Condensate Formation
D Qian, T Welsh, N Erkamp, S Qamar, J Nixon-Abell, G Krainer, P St George-Hyslop, T Michaels, T Knowles
Physical Review X
(2022)
12
Dynamic Diastereomerism on Chiral Surfaces
SC Matysik, DJ Wales, SJ Jenkins
Journal of Physical Chemistry C
(2022)
127
Studies of hyperphosphorylated tau aggregation and cytotoxicity
J Meng
(2022)
Adsorption Behavior of the Coenzyme NADH at the Carbon/Electrolyte Interface Determined by Neutron Reflectometry
MH Wood, J Rubio-Lara, AJ Armstrong, RJL Welbourn
Langmuir
(2022)
39
Allosteric and Electrostatic Cooperativity in a Heteroditopic Halogen Bonding Receptor System.
AJ Taylor, A Docker, PD Beer
Chemistry, an Asian journal
(2022)
18
Quantitative Singlet Fission in Solution-Processable Dithienohexatrienes
KJ Fallon, N Sawhney, DTW Toolan, A Sharma, W Zeng, S Montanaro, A Leventis, S Dowland, O Millington, D Congrave, A Bond, R Friend, A Rao, H Bronstein
Journal of the American Chemical Society
(2022)
144
Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach
M Kállay, RA Horváth, L Gyevi-Nagy, PR Nagy
Journal of chemical theory and computation
(2022)
19
A Solid State NMR Investigation of Poly (ADP-ribose) and Its Involvement in Tissue Calcification
A Murgoci
(2022)
Principles of assembly and regulation of condensates of Polycomb repressive complex 1 through phase separation
K Brown, PY Chew, S Ingersoll, JR Espinosa, A Aguirre, T Kutateladze, RC Guevara, X Ren
(2022)
Anion-polarisation-directed short-range-order in antiperovskite Li$_2$FeSO
SW Coles, V Falkowski, HS Geddes, GE Pérez, SG Booth, AG Squires, C O'Rourke, K McColl, AL Goodwin, SA Cussen, SJ Clarke, MS Islam, BJ Morgan
(2022)
A Kinetic Map of the Influence of Biomimetic Lipid Model Membranes on Aβ42 Aggregation.
KN Baumann, G Šneiderienė, M Sanguanini, M Schneider, O Rimon, A González Díaz, H Greer, D Thacker, S Linse, TPJ Knowles, M Vendruscolo
ACS chemical neuroscience
(2022)
14
Recent Advances in MXene‐Based Aerogels: Fabrication, Performance and Application
C Wei, Q Zhang, Z Wang, W Yang, H Lu, Z Huang, W Yang, J Zhu
Advanced Functional Materials
(2022)
33
Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃
A Nicolson, J Breternitz, SR Kavanagh, Y Tomm, K Morita, AG Squires, M Tovar, A Walsh, S Schorr, DO Scanlon
(2022)
Plasmonic Sensing Assay for Long-Term Monitoring (PSALM) of Neurotransmitters in Urine
W-H Chen, W Wang, Q Lin, D-B Grys, M Niihori, J Huang, S Hu, B de Nijs, OA Scherman, JJ Baumberg
ACS Nanosci Au
(2022)
3