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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 1341 - 1360 of 29345 publications
Design and Synthesis of Antimycobacterial Agents
M Pickering
(2023)
(doi: 10.17863/CAM.104462)
Metal–Organic Framework Supercapacitors: Challenges and Opportunities
SJ Shin, JW Gittins, CJ Balhatchet, A Walsh, AC Forse
– Advanced Functional Materials
(2023)
34,
2308497
(doi: 10.1002/adfm.202308497)
Methyl radical chemistry in non-oxidative methane activation over metal single sites
X Huang, D Eggart, G Qin, BB Sarma, A Gaur, J Yang, Y Pan, M Li, J Hao, H Yu, A Zimina, X Guo, J Xiao, J-D Grunwaldt, X Pan, X Bao
– Nature Communications
(2023)
14,
5716
(doi: 10.1038/s41467-023-41192-y)
Ab initio studies of the impact of the Debye-Waller factor on the structural and dynamical properties of amorphous semiconductors: The case of a-Si
D Dahal, R Atta-Fynn, SR Elliott, P Biswas
– Physical Review B
(2023)
108,
094206
(doi: 10.1103/physrevb.108.094206)
Asymmetrically Functionalized Electron‐Deficient π‐Conjugated System for Printed Single‐Crystalline Organic Electronics
CP Yu, S Kumagai, M Tsutsumi, T Kurosawa, H Ishii, G Watanabe, D Hashizume, H Sugiura, Y Tani, T Ise, T Watanabe, H Sato, J Takeya, T Okamoto
– Advanced Science
(2023)
10,
e2207440
(doi: 10.1002/advs.202207440)
MAVEN: compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny.
L Hosseini-Gerami, R Hernansaiz Ballesteros, A Liu, H Broughton, DA Collier, A Bender
– BMC Bioinformatics
(2023)
24,
344
(doi: 10.1186/s12859-023-05416-8)
The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A
C Olivieri, Y Wang, C Walker, MV Subrahmanian, KN Ha, DA Bernlohr, J Gao, C Camilloni, M Vendruscolo, SS Taylor, G Veglia
– bioRxiv
(2023)
4,
2023.09.12.557419
(doi: 10.1101/2023.09.12.557419)
Weakening of springtime Arctic ozone depletion with climate change
M Friedel, G Chiodo, T Sukhodolov, J Keeble, T Peter, S Seeber, A Stenke, H Akiyoshi, E Rozanov, D Plummer, P Jöckel, G Zeng, O Morgenstern, B Josse
– Atmospheric Chemistry and Physics
(2023)
23,
10235
(doi: 10.5194/acp-23-10235-2023)
Platinum-based nanodendrites as glucose oxidase-mimicking surrogates
JI Garcia-Peiro, J Bonet-Aleta, ML Tamayo-Fraile, JL Hueso, J Santamaria
– Nanoscale
(2023)
15,
14399
(doi: 10.1039/d3nr02026f)
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model.
KM Herman, AJ Stone, SS Xantheas
– J Chem Theory Comput
(2023)
19,
6805
(doi: 10.1021/acs.jctc.3c00575)
Ganglioside Lipids Inhibit the Aggregation of the Alzheimer’s Related Peptide Amyloid-β
Z Toprakcioglu, A Jayaram, T Knowles
(2023)
(doi: 10.1101/2023.09.10.556751)
The Implications of Particle Morphology on the Capacity Retention, Side Reactions, and Impedance Build-Up of Nickel-Rich NCMs upon Cycling in Full-Cells: Poly- vs. Single-Crystalline NCM851005
S Oswald, M Bock, HA Gasteiger
– Journal of The Electrochemical Society
(2023)
170,
090505
(doi: 10.1149/1945-7111/acf3a1)
Energy landscapes for proteins described by the UNRES coarse-grained potential
PA Wesołowski, AK Sieradzan, MJ Winnicki, JWR Morgan, DJ Wales
– Biophysical Chemistry
(2023)
303,
107107
(doi: 10.1016/j.bpc.2023.107107)
Global analysis of energy landscapes for materials modeling: A test case for C60
G Csányi, JWR Morgan, DJ Wales
– The Journal of Chemical Physics
(2023)
159,
104107
(doi: 10.1063/5.0167857)
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon
H Ding, L Xue, J Cui, Y Wang, D Zhao, X Zhi, R Liu, J Fu, S Liu, B Fu, J Shi, X Xu, GK Li
– Journal of Hazardous Materials
(2023)
460,
132520
(doi: 10.1016/j.jhazmat.2023.132520)
Fully First-Principles Surface Spectroscopy with Machine Learning
Y Litman, J Lan, Y Nagata, DM Wilkins
– The Journal of Physical Chemistry Letters
(2023)
14,
8175
(doi: 10.1021/acs.jpclett.3c01989)
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks
S Bhattacharjee, C Guo, E Lam, JM Holstein, M Rangel Pereira, CM Pichler, C Pornrungroj, M Rahaman, T Uekert, F Hollfelder, E Reisner
– Journal of the American Chemical Society
(2023)
145,
20355
(doi: 10.1021/jacs.3c05486)
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
WC Witt, CVD Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, CH Ho, WJ Baldwin, M Sachs, J Kermode, N Bernstein, G Csányi, C Ortner
(2023)
(doi: 10.48550/arxiv.2309.03161)
(link to publication)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
– Physical Review B
(2023)
108,
115112
(doi: 10.1103/physrevb.108.115112)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
Nicy, R Collepardo-Guevara, JA Joseph, DJ Wales
– QRB discovery
(2023)
4,
e7
(doi: 10.1017/qrd.2023.5)

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