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  • Currently displaying 5361 - 5380 of 29636 publications
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Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, GH Booth, J Chen, Z-H Cui, JJ Eriksen, Y Gao, S Guo, J Hermann, MR Hermes, K Koh, P Koval, S Lehtola, Z Li, J Liu, N Mardirossian, JD McClain, M Motta, B Mussard, HQ Pham, A Pulkin, W Purwanto, PJ Robinson, E Ronca, ER Sayfutyarova, M Scheurer, HF Schurkus, JET Smith, C Sun, S-N Sun, S Upadhyay, LK Wagner, X Wang, A White, JD Whitfield, MJ Williamson, S Wouters, J Yang, JM Yu, T Zhu, TC Berkelbach, S Sharma, AY Sokolov, GK-L Chan
The Journal of Chemical Physics
(2020)
153
Beyond Carbon: Enantioselective and Enantiospecific Reactions with Catalytically Generated Boryl- and Silylcopper Intermediates
W Xue, M Oestreich
ACS Cent Sci
(2020)
6
Insights into the synergistic mechanism of target resistance: A case study of N. lugens RDL-GABA receptors and fipronil
T Li, C Zhou, N Zheng, H Yang, G Kuang, X Shao, Z Li, J Cheng
Biophysical Chemistry
(2020)
265
Stimuli Mediated Ultrastable Radical Formation
JA McCune, MF Kuehnel, E Reisner, OA Scherman
Chem
(2020)
6
Highly Selective Asymmetric Hydrogenation of Oximes to Hydroxylamine Derivatives
F Tan, P Zheng, Y-Q Zou
Chem
(2020)
6
Consequences of lipid remodeling of adipocyte membranes being functionally distinct from lipid storage in obesity
K-D Liu, A Acharjee, C Hinz, S Liggi, A Murgia, J Denes, MK Gulston, X Wang, Y Chu, JA West, RC Glen, LD Roberts, AJ Murray, JL Griffin
Journal of proteome research
(2020)
19
Hetero‐Coencapsulation within a Supramolecular Cage: Moving away from the Statistical Distribution of Different Guests
C Bravin, G Licini, CA Hunter, C Zonta
Chemistry - A European Journal
(2020)
26
Non‐additive response of the high‐latitude Southern Hemisphere climate to aerosol forcing in a climate model with interactive chemistry
JO Pope, A Orr, GJ Marshall, NL Abraham
Atmospheric Science Letters
(2020)
21
Long-term, continuous air quality monitoring in a cross-sectional study of three UK non-domestic buildings
S Stamp, E Burman, C Shrubsole, L Chatzidiakou, D Mumovic, M Davies
Building and Environment
(2020)
180
Half a century of amyloids: past, present and future.
PC Ke, R Zhou, LC Serpell, R Riek, TPJ Knowles, HA Lashuel, E Gazit, IW Hamley, TP Davis, M Fändrich, DE Otzen, MR Chapman, CM Dobson, DS Eisenberg, R Mezzenga
Chem Soc Rev
(2020)
49
PSCs initiated by mountain waves in a global chemistry-climate model: A missing piece in fully modelling polar stratospheric ozone depletion
A Orr, JS Hosking, A Delon, L Hoffmann, R Spang, T Moffat-Griffin, J Keeble, NL Abraham, P Braesicke
Atmospheric Chemistry and Physics
(2020)
2020
Supramolecular catalysis by recognition-encoded oligomers: discovery of a synthetic imine polymerase.
L Gabrielli, CA Hunter
Chemical Science
(2020)
11
Biosensing and electrochemical properties of flavin adenine dinucleotide (FAD)-Dependent glucose dehydrogenase (GDH) fused to a gold binding peptide
H Lee, YS Lee, SS Reginald, S Baek, EM Lee, I-G Choi, IS Chang
Biosens Bioelectron
(2020)
165
Direct Imaging of Correlated Defect Nanodomains in a Metal–Organic Framework
DN Johnstone, FCN Firth, CP Grey, PA Midgley, MJ Cliffe, SM Collins
Journal of the American Chemical Society
(2020)
142
Directed Energy Transfer from Monolayer $WS_{2}$ to NIR Emitting PbS-CdS Quantum Dots
AOA Tanoh, N Gauriot, G Delport, J Xiao, R Pandya, JY Sung, J Allardice, Z Li, CA Williams, A Baldwin, SD Stranks, A Rao
(2020)
Identification of Intrinsic Drug Resistance and Its Biomarkers in High-Throughput Pharmacogenomic and CRISPR Screens
I Ayestaran, A Galhoz, E Spiegel, B Sidders, JR Dry, F Dondelinger, A Bender, U McDermott, F Iorio, MP Menden
Patterns (N Y)
(2020)
1
Investigating the effect of a fluoroethylene carbonate additive on lithium deposition and the solid electrolyte interphase in lithium metal batteries using in situ NMR spectroscopy
AB Gunnarsdóttir, S Vema, S Menkin, LE Marbella, CP Grey
Journal of Materials Chemistry A
(2020)
8
Copper(II) Complexes of N-Propargyl Cyclam Ligands Reveal a Range of Coordination Modes and Colours, and Unexpected Reactivity
A Counsell, M Yu, M Shi, A Jones, JM Batten, P Turner, M Todd, P Rutledge
(2020)
Preparation and characterization of β-Cyclodextrin/Fe3O4 nanocomposite
E Saepudin, SJ Willyam, Irkham, TA Ivandini
Iop Conference Series Materials Science and Engineering
(2020)
902
Photoelectrochemical devices with lead halide perovskite and bismuth vanadate light absorbers for unassisted solar fuel synthesis
V Andrei
(2020)