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  • Currently displaying 1041 - 1060 of 31859 publications
Author(s)
Publication title
Journal Name
Publication year
Two-dimensional electronic spectra from trajectory-based dynamics: pure-state Ehrenfest, spin-mapping, and mean classical path approaches
AZ Lieberherr, J Kelly, JE Runeson, TE Markland, DE Manolopoulos
(2025)
Rapid elongation drives the exceptionally fast aggregation of medin, the most common localized human amyloid
M Vendruscolo, VR Chowdhury, R Horne, M Cali, Z Toprakcioglu, S Linse
(2025)
Recent advances in catalytic enantioselective synthesis of vicinal amino alcohols.
X Yan, W Feng, JX Ng, J Li, Y Liu, B Zhang, P-L Shao, Y Zhao
Chemical Society Reviews
(2025)
54
Direct Observation of the Conformational Transitions in Tau and Their Correlation with Phase Behavior
J Wen, Y Tang, T Sneideris, H Ausserwöger, L Hong, TPJ Knowles, S Perrett, G Wei, S Wu
Jacs Au
(2025)
5
Uniform Rectangular Conjugated Polymer Platelet Micelles via One-Step Crystallization-Driven Nucleation–Growth
J Cai, HK MacKenzie, C Li, H Qiu, I Manners
J Am Chem Soc
(2025)
147
The role of N-terminal acetylation on biomolecular condensation
CG Oliveira, MTS Silva, E Kava, T Agarwal, G Cereghetti, EF Vicente, TPJ Knowles, AJ Costa-Filho, LFS Mendes
(2025)
Deterministic optimization of Jastrow factors
M-A Filip, EMC Christlmaier, JP Haupt, D Kats, P López Ríos, A Alavi
The Journal of Chemical Physics
(2025)
163
Aperiodic defects in periodic solids
RH Lavroff, D Kats, L Maschio, NA Bogdanov, A Alavi, AN Alexandrova, D Usvyat
Journal of Chemical Physics
(2025)
163
OP07 Inequalities in indoor air pollution within Bradford, UK: emerging results on particulate matter (PM2.5) from the INGENIOUS study
RW Cheung, L Chatzidiakou, TC Yang, S PO’Meara, DR Shaw, G McFiggans, N Carslaw, J Hamilton, RR McEachan
SSM Annual Scientific Meeting Oral
(2025)
α-Synuclein driven cell susceptibility in Parkinson’s disease
JC Breiter, JS Beckwith, EE Brock, J Lachica, CE Toomey, B Fu, M Ryten, LE Weiss, NW Wood, S Gandhi, M Vendruscolo, SF Lee
(2025)
In Situ Early-Stage CO2 Corrosion Scale Study with 2D Synchrotron SAXS-WAXS
MH Sk, SM Clarke, M Woolley, A Osudare, S Agrawal, N Sharifi, D Eberl-Craske, R Lindsay, MTL Casford, A Smith, N Terrill
Corrosion Science
(2025)
257
Protein self-assembly in crowded environments
MCM Martens, Z Han, TPJ Knowles, R Tuinier, NA Erkamp
(2025)
Vibrational Spectra of Materials and Molecules from Partially-Adiabatic Elevated-Temperature Centroid Molecular Dynamics
J Castro, G Trenins, V Kapil, M Rossi
(2025)
Coordinated protein modules define DNA damage responses to carboplatin at single-cell resolution in human ovarian carcinoma models.
JS Bedia, A Delgado-Gonzalez, Y-W Huang, VD Gonzalez, I-G Funingana, Z Rahil, A Mike, A Lowber, M Vias, A Ashworth, JD Brenton, WJ Fantl
Cell Reports Medicine
(2025)
6
Uniform conjugated polymer rectangular platelets exhibiting long-range exciton diffusion.
J Cai, XW Chua, C Li, J Grüne, P Ghosh, Y Ding, HK MacKenzie, H Qiu, NC Greenham, A Rao, I Manners
Nature Materials
(2025)
24
[2.2.1]Heterobicyclic Bromovinyl Sulfones for Thiol-Triggered Strategies in Linker Chemistry: Aza- vs Oxa-Norbornadienic Systems
M Carranza, AT Carmona, C Maya, E Gil de Montes, AV Vasco, GJL Bernardes, AJ Moreno-Vargas
Bioconjugate Chemistry
(2025)
36
Circular Dichroism and Multiphoton Circularly Polarized Luminescence Switching Using a Bis‐perylene Diimide Macrocycle
SE Penty, MV Appleby, MA Zwijnenburg, DJ Black, D Hartmann, D Chekulaev, J Weinstein, R Pal, TA Barendt
Chemistry A European Journal
(2025)
31
MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules
DP Kovács, JH Moore, NJ Browning, I Batatia, JT Horton, Y Pu, V Kapil, WC Witt, I-B Magdău, DJ Cole, G Csányi
(2025)
The CP2K Program Package Made Simple
M Iannuzzi, J Wilhelm, F Stein, A Bussy, H Elgabarty, D Golze, A Hehn, M Graml, S Marek, BS Gökmen, C Schran, H Forbert, RZ Khaliullin, A Kozhevnikov, M Taillefumier, R Meli, V Rybkin, M Brehm, R Schade, O Schütt, JV Pototschnig, H Mirhosseini, A Knüpfer, D Marx, M Krack, J Hutter, TD Kühne
(2025)
Clay Edges Are Dynamic Proton-conducting Networks Modulated by Structure and pH
Y Feng, XR Advincula, H Fang, C Schran
(2025)