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  • Currently displaying 6061 - 6080 of 29670 publications
Author(s)
Publication title
Journal Name
Publication year
Postscript on viable ground-states for calculating topological π-electron ring-currents using the hückel-london-pople-mcweeny model
TK Dickens, RB Mallion
Croatica Chemica Acta
(2020)
93
Continuous flow synthesis of the URAT1 inhibitor lesinurad
MCFCB Damião, HM Marçon, JC Pastre
Reaction Chemistry & Engineering
(2020)
5
C(sp3)-H arylation to construct all-syncyclobutane-based heterobicyclic systems: a novel fragment collection
TJ Osberger, SL Kidd, TA King, DR Spring
Chem Commun (Camb)
(2020)
56
Why are there knots in proteins?
S Jackson
Contemporary Mathematics
(2020)
746
Carbon dioxide reduction by lanthanide(iii) complexes supported by redox-active Schiff base ligands
N Jori, D Toniolo, BC Huynh, R Scopelliti, M Mazzanti
Inorganic Chemistry Frontiers
(2020)
7
Photocatalytic hydrogen generation coupled to pollutant utilisation using carbon dots produced from biomass
DS Achilleos, H Kasap, E Reisner
Green Chemistry
(2020)
22
Hydrophosphination using [GeCl{N(SiMe3)2}3] as a pre-catalyst.
AN Barrett, HJ Sanderson, MF Mahon, RL Webster
Chemical communications (Cambridge, England)
(2020)
56
The use of mixed-metal single source precursors for the synthesis of complex metal oxides.
H Lu, DS Wright, SD Pike
Chemical communications (Cambridge, England)
(2020)
56
A visible light-mediated, decarboxylative, desulfonylative Smiles rearrangement for general arylethylamine syntheses.
DM Whalley, HA Duong, MF Greaney
Chemical communications (Cambridge, England)
(2020)
56
A tutored discourse on microcontrollers, single board computers and their applications to monitor and control chemical reactions
DE Fitzpatrick, M O'Brien, SV Ley
Reaction Chemistry & Engineering
(2020)
5
Cation-disordered rocksalt transition metal oxides and oxyfluorides for high energy lithium-ion cathodes
RJ Clément, Z Lun, G Ceder
Energy & Environmental Science
(2020)
13
Solvent similarity index
MD Driver, CA Hunter
Physical chemistry chemical physics : PCCP
(2020)
22
A synthetic transcription factor pair mimic for precise recruitment of an epigenetic modifier to the targeted DNA locus
Z Yu, M Ai, SK Samanta, F Hashiya, J Taniguchi, S Asamitsu, S Ikeda, K Hashiya, T Bando, GN Pandian, L Isaacs, H Sugiyama
Chemical Communications
(2020)
56
New approaches to study excited states in density functional theory: general discussion.
JG Brandenburg, K Burke, E Fromager, M Gatti, S Giarrusso, NI Gidopoulos, P Gori-Giorgi, D Gowland, T Helgaker, MJP Hodgson, L Lacombe, G Levi, P-F Loos, NT Maitra, E Maurina Morais, N Mehta, F Monti, MR Mulay, K Pernal, L Reining, P Romaniello, MR Ryder, A Savin, D Sirbu, AM Teale, AJW Thom, DG Truhlar, J Wetherell, W Yang
Faraday discussions
(2020)
224
The role of composition: natural materials vs. synthetic composites: general discussion.
E Bermudez Ureña, A Borsuk, H Clark, R Fosbury, MH Godinho, M Hardy, A Holt, M Kolle, C Kuttner, M Lopez-Garcia, A McDougal, SR Mouchet, NJ Nadeau, N Nicolas, BA Palmer, A Parnell, TG Parton, P Pirih, A Qiu, G Schröder-Turk, GT van de Kerkhof, P Vukusic, W Wardley, M Xiao
Faraday discussions
(2020)
223
Multi-scale electrolyte transport simulations for lithium ion batteries
F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, M Veit
Journal of the Electrochemical Society
(2020)
167
Bandgap lowering in mixed alloys of Cs2Ag(SbxBi1−x)Br6 double perovskite thin films
Z Li, SR Kavanagh, M Napari, RG Palgrave, M Abdi-Jalebi, Z Andaji-Garmaroudi, DW Davies, M Laitinen, J Julin, MA Isaacs, RH Friend, DO Scanlon, A Walsh, RLZ Hoye
Journal of Materials Chemistry A
(2020)
8
Drug Combination Modeling
AHC Vlot, DJ Mason, KC Bulusu, A Bender
(2020)
1-3
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics.
Y Litman, J Behler, M Rossi
Faraday Discuss
(2020)
221
Chapter 5 Concepts and Applications of Conformal Prediction in Computational Drug Discovery
I Cortés-Ciriano, A Bender
(2020)