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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 1441 - 1460 of 29469 publications
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
E Gelžinytė, S Wengert, TK Stenczel, HH Heenen, K Reuter, G Csányi, N Bernstein
– The Journal of Chemical Physics
(2023)
159,
124801
(doi: 10.1063/5.0156845)
Vitamin B12 bioaccumulation in Chlorella vulgaris grown on food waste-derived anaerobic digestate
KP Papadopoulos, MF de Souza, L Archer, ACZ Illanes, EL Harrison, F Taylor, MP Davey, DA Gallardo, AJ Komakech, S Radmehr, A Holzer, E Meers, AG Smith, P Mehrshahi
– Algal Research
(2023)
75,
103290
(doi: 10.1016/j.algal.2023.103290)
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
S-J Shin, J Gittins, C Balhatchet, A Walsh, A Forse
(2023)
(doi: 10.26434/chemrxiv-2023-nnw1v-v2)
Spatiotemporal distribution of pollutants and impact of local meteorology on source influence on pollutants' level in a traffic air-shed in Lagos megacity, Nigeria
AP Olufemi, OG Fawole, OK Owoade, OAM Popoola, RL Jones, AB Toyeje, PO Abiodun, OR Omokungbe, OE Abiye, LA Sunmonu
– Environmental Monitoring and Assessment
(2023)
195,
1126
(doi: 10.1007/s10661-023-11757-x)
Quantum Nuclear Delocalization and its Rovibrational Fingerprints.
I Simkó, C Schran, F Brieuc, C Fábri, O Asvany, S Schlemmer, D Marx, AG Császár
– Angewandte Chemie (International ed. in English)
(2023)
62,
e202306744
(doi: 10.1002/anie.202306744)
Pushing Technique Boundaries to Probe Conformational Polymorphism.
MR Ward, CR Taylor, MT Mulvee, GI Lampronti, AM Belenguer, JW Steed, GM Day, IDH Oswald
– Crystal Growth & Design
(2023)
23,
7217
(doi: 10.1021/acs.cgd.3c00641)
Active–passive mixtures with bulk loading: a minimal active engine in one dimension
JF Derivaux, RL Jack, ME Cates
– Journal of Statistical Mechanics Theory and Experiment
(2023)
2023,
083212
(doi: 10.1088/1742-5468/acecfa)
Quantum Nuclear Delocalization and its Rovibrational Fingerprints
I Simkó, C Schran, F Brieuc, C Fábri, O Asvany, S Schlemmer, D Marx, AG Császár
– Angewandte Chemie
(2023)
135,
e202306744
(doi: 10.1002/ange.202306744)
ORDerly: Datasets and benchmarks for chemical reaction data
D Wigh, J Arrowsmith, A Pomberger, K Felton, A Lapkin
(2023)
(doi: 10.26434/chemrxiv-2023-qkjtb-v2)
The role of tyrosine in protein-dopamine based bioinspired adhesives: the stoichiometry that maximizes bonding strength
M Lo Presti, N Ostrovsky-Snider, G Rizzo, M Portoghese, D Blasi, GM Farinola, FG Omenetto
– Frontiers in Biomaterials Science
(2023)
2,
1184088
(doi: 10.3389/fbiom.2023.1184088)
Implementation and evaluation of updated photolysis rates in the EMEP MSC-W chemical transport model using Cloud-J v7.3e
WE van Caspel, D Simpson, JE Jonson, AMK Benedictow, Y Ge, A di Sarra, G Pace, M Vieno, H Walker, M Heal
(2023)
(doi: 10.5194/gmd-2023-147)
Supplementary material to "Implementation and evaluation of updated photolysis rates in the EMEP MSC-W chemical transport model using Cloud-J v7.3e"
WE van Caspel, D Simpson, JE Jonson, AMK Benedictow, Y Ge, A di Sarra, G Pace, M Vieno, H Walker, M Heal
(2023)
(doi: 10.5194/gmd-2023-147-supplement)
Quantifying the Effect of Guest Binding on Host Environment
HP Ryan, ZS Fishman, JT Pawlik, A Grommet, M Musial, F Rizzuto, JC Booth, CJ Long, K Schwarz, ND Orloff, JR Nitschke, AC Stelson
– Journal of the American Chemical Society
(2023)
145,
19533
(doi: 10.1021/jacs.3c01409)
Optimization of a small molecule inhibitor of secondary nucleation in α-synuclein aggregation.
R Staats, ZF Brotzakis, S Chia, RI Horne, M Vendruscolo
– Frontiers in Molecular Biosciences
(2023)
10,
1155753
(doi: 10.3389/fmolb.2023.1155753)
Studies on the Transcorrelated Method.
N Lee, AJW Thom
– Journal of Chemical Theory and Computation
(2023)
19,
5743
(doi: 10.1021/acs.jctc.3c00046)
Identifying Non-Stationarity in Non-Linear Harmonics of EIS Measurements of Li Batteries
MA Zabara, G Katırcı, B Ülgüt
– ECS Meeting Abstracts
(2023)
MA2023-01,
399
(doi: 10.1149/ma2023-011399mtgabs)
Low Temperature Niobium Tungsten Oxides as Anodes for Fast Charging Li-Ion Batteries
S Nagendran, CP Grey
– ECS Meeting Abstracts
(2023)
MA2023-01,
474
(doi: 10.1149/ma2023-012474mtgabs)
Understanding the Catalytic Mechanism of Redox Mediators for Li-O2 Batteries Using Cyclic Voltammetry
G Horwitz, S Niblett, V Kunz, Y Choi, CP Grey
– ECS Meeting Abstracts
(2023)
MA2023-01,
2579
(doi: 10.1149/ma2023-01502579mtgabs)
Identifying and preventing degradation in flavin mononucleotide-based redox flow batteries via NMR and EPR spectroscopy.
C Grey, D Hey, RB Jethwa, NL Farag, BLD Rinkel, EW Zhao
– Nature Communications
(2023)
14,
5207
(doi: 10.1038/s41467-023-40649-4)
Signal-To-Noise Calculations of Emergence and De-Emergence of Stratospheric Ozone Depletion
F Robertson, LE Revell, H Douglas, AT Archibald, O Morgenstern, D Frame
– Geophysical Research Letters
(2023)
50,
ARTN e2023GL104246
(doi: 10.1029/2023GL104246)

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