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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 101 - 120 of 27901 publications
Excited state-specific CASSCF theory for the torsion of ethylene
S Saade, HGA Burton
(2024)
(doi: 10.48550/arxiv.2402.13046)
(link to publication)
Jahn-Teller Distortions and Phase Transitions in LiNiO2: Insights from Ab Initio Molecular Dynamics and Variable-Temperature X-ray Diffraction
AR Genreith-Schriever, A Alexiu, GS Phillips, CS Coates, LAV Nagle-Cocco, JD Bocarsly, FN Sayed, SE Dutton, CP Grey
– Chemistry of materials : a publication of the American Chemical Society
(2024)
36,
2289
(doi: 10.1021/acs.chemmater.3c02413)
Misfolded protein oligomers: mechanisms of formation, cytotoxic effects, and pharmacological approaches against protein misfolding diseases
DJ Rinauro, F Chiti, M Vendruscolo, R Limbocker
– Molecular Neurodegeneration
(2024)
19,
20
(doi: 10.1186/s13024-023-00651-2)
Large-scale visualisation of α-synuclein oligomers in Parkinson’s disease brain tissue
R Andrews, B Fu, CE Toomey, JC Breiter, J Lachica, R Tian, JS Beckwith, L-M Needham, GJ Chant, C Loiseau, A Deconfin, K Baspin, PJ Magill, Z Jaunmuktane, OJ Freeman, BJM Taylor, J Hardy, T Lashley, M Ryten, M Vendruscolo, NW Wood, LE Weiss, S Gandhi, SF Lee
(2024)
(doi: 10.1101/2024.02.17.580698)
Data supporting the North Atlantic Climate System: Integrated Studies (ACSIS) programme, including atmospheric composition, oceanographic and sea ice observations (2016–2022) and output from ocean, atmosphere, land and sea-ice models (1950–2050)
AT Archibald, B Sinha, M Russo, E Matthews, F Squires, NL Abraham, S Bauguitte, T Bannan, T Bell, D Berry, L Carpenter, H Coe, A Coward, P Edwards, D Feltham, D Heard, J Hopkins, J Keeble, EC Kent, B King, IR Lawrence, J Lee, CR Macintosh, A Megann, BI Moat, K Read, C Reed, M Roberts, R Schiemann, D Schroeder, T Smyth, L Temple, N Thamban, L Whalley, S Williams, H Wu, M-X Yang
(2024)
(doi: 10.5194/essd-2023-405)
Supramolecular effects in pyridinium compounds and their application towards practical redox flow battery systems
M Carrington
(2024)
Operando film-electrochemical EPR spectroscopy tracks radical intermediates in surface-immobilized catalysts.
M Seif-Eddine, SJ Cobb, Y Dang, K Abdiaziz, MA Bajada, E Reisner, MM Roessler
– Nature chemistry
(2024)
1
(doi: 10.1038/s41557-024-01450-y)
Spin-coupled molecular orbitals: chemical intuition meets quantum chemistry
D Marti-Dafcik, N Lee, HGA Burton, DP Tew
(2024)
(doi: 10.48550/arxiv.2402.08858)
(link to publication)
Antibody agonists trigger immune receptor signaling through local exclusion of receptor-type protein tyrosine phosphatases
AH Lippert, C Paluch, M Gaglioni, MT Vuong, J McColl, E Jenkins, M Fellermeyer, J Clarke, S Sharma, S Moreira da Silva, B Akkaya, C Anzilotti, SH Morgan, CF Jessup, M Körbel, U Gileadi, J Leitner, R Knox, M Chirifu, J Huo, S Yu, N Ashman, Y Lui, I Wilkinson, KE Attfield, L Fugger, NJ Robertson, CJ Lynch, L Murray, P Steinberger, AM Santos, SF Lee, RJ Cornall, D Klenerman, SJ Davis
– Immunity
(2024)
57,
256
(doi: 10.1016/j.immuni.2024.01.007)
Triamine and Tetramine Edge-Length Matching Drives Heteroleptic Triangular and Tetragonal Prism Assembly.
JA Davies, TK Ronson, JR Nitschke
– Journal of the American Chemical Society
(2024)
146,
5215
(doi: 10.1021/jacs.3c11320)
Code supporting "Interchange of Weyl Points in the Phonon Bands of a Half-Metal Alloy"
S Jenkins
(2024)
(doi: 10.17863/CAM.105656)
Cathepsin B Processing is Required for the in vivo Efficacy of Albumin-Drug Conjugates
B Bernardim, J Conde, T Hakala, JB Becher, M Canzano, AV Vasco, TPJ Knowles, J Cameron, GJL Bernardes
– Bioconjugate Chemistry
(2024)
35,
132
(doi: 10.1021/acs.bioconjchem.3c00478)
Self-replication of Aβ42 aggregates occurs on small and isolated fibril sites.
S Curk, J Krausser, G Meisl, D Frenkel, S Linse, TCT Michaels, TPJ Knowles, A Šarić
– Proceedings of the National Academy of Sciences
(2024)
121,
e2220075121
(doi: 10.1073/pnas.2220075121)
Rheology and gelation of aqueous carboxymethylated curdlan solution: Impact of the degree of substitution
Y Wei, Z Cai, A Ma, H Zhang
– Carbohydrate polymers
(2024)
332,
121921
(doi: 10.1016/j.carbpol.2024.121921)
PKSmart: An Open-Source Computational Model to Predictin vivoPharmacokinetics of Small Molecules
S Seal, M-A Trapotsi, V Subramanian, O Spjuth, N Greene, A Bender
(2024)
(doi: 10.1101/2024.02.02.578658)
Highly disordered amorphous Li-battery electrolytes
Y Zhu, ZD Hood, H Paik, PB Groszewicz, SP Emge, FN Sayed, C Sun, M Balaish, D Ehre, LJ Miara, AI Frenkel, I Lubomirsky, CP Grey, JLM Rupp
– Matter
(2024)
7,
500
(doi: 10.1016/j.matt.2023.12.004)
Modulation of α-synuclein in vitro aggregation kinetics by its alternative splice isoforms.
A Röntgen, Z Toprakcioglu, JE Tomkins, M Vendruscolo
– Proc Natl Acad Sci U S A
(2024)
121,
e2313465121
(doi: 10.1073/pnas.2313465121)
The limit of macroscopic homogeneous ice nucleation at the nanoscale.
JA Hayton, MB Davies, TF Whale, A Michaelides, SJ Cox
– Faraday discussions
(2024)
249,
210
(doi: 10.1039/d3fd00099k)
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects
V Kapil, DP Kovács, G Csányi, A Michaelides
– Faraday Discuss
(2024)
249,
50
(doi: 10.1039/d3fd00113j)
Electrified/charged aqueous interfaces: general discussion
XR Advincula, EHG Backus, M Bonn, SJ Cox, U Diebold, A Fellows, AR Finney, G Goel, J Hedley, Y Jiang, D Jin, V Kapil, N Kavokine, J Klein, D Laage, N Mohandas, K Morgenstern, T Mukherjee, M Olvera de la Cruz, H Orlikowska-Rzeznik, S Perkin, PM Piaggi, CG Rodellar, P Ryan, T Sayer, M Seyffertitz, M Shepelenko, GC Sosso, M Thämer, A Vilangottunjalil, R Walker-Gibbons, Y Wang, AP Willard, P Zhang
– Faraday Discuss
(2024)
249,
381
(doi: 10.1039/d3fd90065g)

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