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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 1581 - 1600 of 29197 publications
A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems
M-A Filip, AJW Thom
– Journal of Chemical Physics
(2023)
158,
184101
(doi: 10.1063/5.0145767)
In-situ iron corrosion in brine using TEM
S Agrawal, MH Sk, RM Langford, SM Clarke
– MRS Advances
(2023)
8,
376
(doi: 10.1557/s43580-023-00533-1)
Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
LC Tazi, AJW Thom
(2023)
(link to publication)
High-physiological and supra-physiological 1,2-13C2 glucose focal supplementation to the traumatised human brain
MG Stovell, DJ Howe, EP Thelin, I Jalloh, A Helmy, MR Guilfoyle, P Grice, A Mason, S Giorgi-Coll, CN Gallagher, MP Murphy, DK Menon, TA Carpenter, PJ Hutchinson, KL Carpenter
– Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism
(2023)
43,
1685
(doi: 10.1177/0271678X231173584)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
Nicy, J Joseph, R Collepardo-Guevara, D Wales
(2023)
(doi: 10.1101/2023.05.05.539523)
Conformational changes in protein kinase A along its activation cycle are rooted in the folding energetics of cyclic-nucleotide binding domains
AK Chau, K Bracken, L Bai, D Pham, LL Good, RA Maillard
– Journal of Biological Chemistry
(2023)
299,
104790
(doi: 10.1016/j.jbc.2023.104790)
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods.
P Pracht, C Bannwarth
– J Phys Chem Lett
(2023)
14,
4440
(doi: 10.1021/acs.jpclett.3c00494)
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
H Francis
(2023)
(doi: 10.17863/CAM.107219)
TREXIO: A file format and library for quantum chemistry
E Posenitskiy, VG Chilkuri, A Ammar, M Hapka, K Pernal, R Shinde, EJ Landinez Borda, C Filippi, K Nakano, O Kohulák, S Sorella, P de Oliveira Castro, W Jalby, PL Ríos, A Alavi, A Scemama
– Journal of Chemical Physics
(2023)
158,
174801
(doi: 10.1063/5.0148161)
A photoredox reaction for the selective modification of 5-carboxycytosine in DNA
BJ Mortishire-Smith, SM Becker, A Simeone, L Melidis, S Balasubramanian
– Angewandte Chemie International Edition
(2023)
145,
10505
(doi: 10.1021/jacs.2c12558)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
A Marie, HGA Burton
– J Phys Chem A
(2023)
127,
4538
(doi: 10.1021/acs.jpca.3c00603)
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W; $X$=S, Se) Monolayers
A Akkoush, Y Litman, M Rossi
(2023)
(link to publication)
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering
M Purdy, JR Walton, KJ Fallon, DTW Toolan, P Budden, W Zeng, MK Corpinot, D-K Bučar, L van Turnhout, R Friend, A Rao, H Bronstein
– J Am Chem Soc
(2023)
145,
10712
(doi: 10.1021/jacs.3c00971)
Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C–C Bond Cleavage Reactions
GM Dal Forno, E Latocheski, A Beatriz Machado, J Becher, L Dunsmore, AL St John, BL Oliveira, CD Navo, G Jiménez-Osés, R Fior, JB Domingos, GJL Bernardes
– Journal of the American Chemical Society
(2023)
145,
10790
(doi: 10.1021/jacs.3c01960)
Glucagon-like peptide 1 aggregates into low-molecular-weight oligomers off-pathway to fibrillation
E Přáda Brichtová, M Krupová, P Bouř, V Lindo, A Gomes Dos Santos, SE Jackson
– Biophysical journal
(2023)
122,
2475
(doi: 10.1016/j.bpj.2023.04.027)
Trapping of Photoluminescent Kinetic Intermediates During High-Concentration Synthesis of Non-Emissive Metal-Organic Frameworks
A Halder, D Bain, T Pitt, Z Shi, J Oktawiec, J-H Lee, S Tsangari, M Ng, J Fuentes-Rivera, A Forse, T Runcevski, D Muller, A Musser, P Milner
(2023)
(doi: 10.26434/chemrxiv-2023-1k3bw)
High-density volumetric super-resolution microscopy
S Daly, JF Fernandes, E Bruggeman, A Handa, R Peters, S Benaissa, B Zhang, J Beckwith, E Sanders, R Sims, D Klenerman, S Davis, K O’Holleran, S Lee
(2023)
(doi: 10.1101/2023.05.02.539032)
Diffusion-assisted displacive transformation in Yttrium-doped Sb2Te3 phase change materials
K Li, B Liu, J Zhou, SR Elliott, Z Sun
– Acta Materialia
(2023)
249,
118809
(doi: 10.1016/j.actamat.2023.118809)
Characterisation of neurodegenerative diseases derived protein aggregates using improved single-molecule pull-down
Y Zhang
(2023)
(doi: 10.17863/CAM.106192)
AbNatiV: VQ-VAE-based assessment of antibody and nanobody nativeness for hit selection, humanisation, and engineering
A Ramon, M Ali, M Atkinson, A Saturnino, K Didi, C Visentin, S Ricagno, X Xu, M Greenig, P Sormanni
(2023)
(doi: 10.1101/2023.04.28.538712)

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