Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 6281 - 6300 of 30637 publications
Author(s)
Publication title
Journal Name
Publication year
NWChem: Past, present, and future
E Aprà, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, HJJ van Dam, Y Alexeev, J Anchell, V Anisimov, FW Aquino, R Atta-Fynn, J Autschbach, NP Bauman, JC Becca, DE Bernholdt, K Bhaskaran-Nair, S Bogatko, P Borowski, J Boschen, J Brabec, A Bruner, E Cauët, Y Chen, GN Chuev, CJ Cramer, J Daily, MJO Deegan, TH Dunning, M Dupuis, KG Dyall, GI Fann, SA Fischer, A Fonari, H Früchtl, L Gagliardi, J Garza, N Gawande, S Ghosh, K Glaesemann, AW Götz, J Hammond, V Helms, ED Hermes, K Hirao, S Hirata, M Jacquelin, L Jensen, BG Johnson, H Jónsson, RA Kendall, M Klemm, R Kobayashi, V Konkov, S Krishnamoorthy, M Krishnan, Z Lin, RD Lins, RJ Littlefield, AJ Logsdail, K Lopata, W Ma, AV Marenich, J Martin Del Campo, D Mejia-Rodriguez, JE Moore, JM Mullin, T Nakajima, DR Nascimento, JA Nichols, PJ Nichols, J Nieplocha, A Otero-de-la-Roza, B Palmer, A Panyala, T Pirojsirikul, B Peng, R Peverati, J Pittner, L Pollack, RM Richard, P Sadayappan, GC Schatz, WA Shelton, DW Silverstein, DMA Smith, TA Soares, D Song, M Swart, HL Taylor, GS Thomas, V Tipparaju, DG Truhlar, K Tsemekhman, T Van Voorhis, Á Vázquez-Mayagoitia, P Verma, O Villa, A Vishnu, KD Vogiatzis, D Wang, JH Weare, MJ Williamson, TL Windus, K Woliński, AT Wong, Q Wu, C Yang, Q Yu, M Zacharias, Z Zhang, Y Zhao, RJ Harrison
The Journal of Chemical Physics
(2020)
152
(doi: 10.1063/5.0004997)
Technical note: Low meteorological influence found in 2019 Amazonia fires
DI Kelley, C Burton, C Huntingford, MAJ Brown, R Whitley, N Dong
(2020)
(doi: 10.5194/bg-2020-123)
Breaking the Selection Rules of Spin-Forbidden Molecular Absorption in Plasmonic Nanocavities
OS Ojambati, WM Deacon, R Chikkaraddy, C Readman, Q Lin, Z Koczor-Benda, E Rosta, OA Scherman, JJ Baumberg
(2020)
(doi: 10.48550/arxiv.2005.05383)
The antidiabetic drug lobeglitazone has the potential to inhibit PTP1B activity.
RF Rocha, T Rodrigues, ACO Menegatti, GJL Bernardes, H Terenzi
Bioorg Chem
(2020)
100
(doi: 10.1016/j.bioorg.2020.103927)
Band Positions of Anatase (001) and (101) Surfaces in Contact with Water from Density Functional Theory
J Geiger, M Sprik, M May
(2020)
(doi: 10.26434/chemrxiv.12263837)
Reactive Momentum Transfer Contributes to the Self-Propulsion of Janus Particles.
S Eloul, WCK Poon, O Farago, D Frenkel
Physical Review Letters
(2020)
124
(doi: 10.1103/PhysRevLett.124.188001)
Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals.
DK Limbu, SR Elliott, R Atta-Fynn, P Biswas
Scientific reports
(2020)
10
(doi: 10.1038/s41598-020-64327-3)
Band Positions of Anatase (001) and (101) Surfaces in Contact with Water from Density Functional Theory
J Geiger, M Sprik, M May
(2020)
(doi: 10.26434/chemrxiv.12263837.v1)
A kinetic ensemble of the Alzheimer’s Aβ peptide
T Löhr, K Kohlhoff, GT Heller, C Camilloni, M Vendruscolo
(2020)
(doi: 10.1101/2020.05.07.082818)
Strong Circular Dichroism in Single Gyroid Optical Metamaterials
C Kilchoer, N Abdollahi, JA Dolan, D Abdelrahman, M Saba, U Wiesner, U Steiner, I Gunkel, BD Wilts
Advanced Optical Materials
(2020)
8
(doi: 10.1002/adom.201902131)
Assessing the Onset of Calcium Phosphate Nucleation by Hyperpolarized Real-Time NMR
EMM Weber, T Kress, D Abergel, S Sewsurn, T Azaïs, D Kurzbach
Analytical chemistry
(2020)
92
(doi: 10.1021/acs.analchem.0c00516)
Guest Binding Drives Host Redistribution in Libraries of CoII4L4 Cages
M Kieffer, RA Bilbeisi, JD Thoburn, JK Clegg, JR Nitschke
Angewandte Chemie
(2020)
132
(doi: 10.1002/ange.202004627)
Reentrant Liquid Condensate Phase of Proteins is Stabilized by Hydrophobic and Non-Ionic interactions
G Krainer, TJ Welsh, JA Joseph, JR Espinosa, S Wittmann, E de Csilléry, A Sridhar, Z Toprakcioglu, G Gudiškytė, MA Czekalska, WE Arter, P St George-Hyslop, AA Hyman, R Collepardo-Guevara, S Alberti, TPJ Knowles
BIOPHYSICAL JOURNAL
(2020)
120
(doi: 10.1101/2020.05.04.076299)
Understanding Surface Recombination Processes Using Intensity‐Modulated Photovoltage Spectroscopy on Hematite Photoanodes for Solar Water Splitting
Y Liu, N Guijarro, K Sivula
Helvetica Chimica Acta
(2020)
103
(doi: 10.1002/hlca.202000064)
Supplementary material to "Evaluating the simulated radiative forcings, aerosol properties and stratospheric warmings from the 1963 Agung, 1982 El Chichón and 1991 Mt Pinatubo volcanic aerosol clouds"
SS Dhomse, GW Mann, JC Antuña Marrero, SE Shallcross, MP Chipperfield, KS Carslaw, L Marshall, NL Abraham, CE Johnson
(2020)
(doi: 10.5194/acp-2020-344-supplement)
Using Predicted Bioactivity Profiles to Improve Predictive Modeling.
U Norinder, O Spjuth, F Svensson
J Chem Inf Model
(2020)
60
(doi: 10.1021/acs.jcim.0c00250)
Selective NMR observation of the SEI-metal interface by dynamic nuclear polarisation from lithium metal
MA Hope, BLD Rinkel, AB Gunnarsdóttir, K Märker, S Menkin, S Paul, IV Sergeyev, CP Grey
Nature Communications
(2020)
11
(doi: 10.1038/s41467-020-16114-x)
Design, Synthesis, and Characterization of the Macrocyclic Tetrapeptide cyclo[Pro-Sar-Phe-D-Phe]: A Mixed Opioid Receptor Agonist-Antagonist Following Oral Administration
MJ Ferracane, AC Brice-Tutt, JS Coleman, GG Simpson, LL Wilson, SO Eans, HM Stacy, TF Murray, JP McLaughlin, JV Aldrich
ACS Chemical Neuroscience
(2020)
11
(doi: 10.1021/acschemneuro.0c00086)
Evaluating the simulated radiative forcings, aerosol properties and stratospheric warmings from the 1963 Agung, 1982 El Chichón and 1991 Mt Pinatubo volcanic aerosol clouds
SS Dhomse, GW Mann, JCA Marrero, SE Shallcross, MP Chipperfield, KS Carslaw, L Marshall, NL Abraham, CE Johnson
(2020)
2020
(doi: 10.5194/acp-2020-344)
Seeking Heteroatom-Rich Compounds: Synthetic and Mechanistic Studies into Iron Catalyzed Dehydrocoupling of Silanes
D Gasperini, AK King, NT Coles, MF Mahon, RL Webster
ACS Catalysis
(2020)
10
(doi: 10.1021/acscatal.0c01440)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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