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  • Currently displaying 5721 - 5740 of 30197 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
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
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
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
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
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
Direct Imaging of Correlated Defect Nanodomains in a Metal–Organic Framework
DN Johnstone, FCN Firth, CP Grey, PA Midgley, MJ Cliffe, SM Collins
J Am Chem Soc
(2020)
142
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
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 (New York, 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)
Radical methods for the synthesis of aliphatic amines
N Flodén
(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
Associating adverse drug effects with protein targets by integrating adverse event, in vitro bioactivity, and pharmacokinetic data
I Smit
(2020)
Small Angle Neutron Scattering Reveals the Structural Details of Thermosensitive Polymer-grafted Cellulose Nanocrystals Suspensions.
F Azzam, B Frka-Petesic, EF Semeraro, F Cousin, B Jean
Langmuir : the ACS journal of surfaces and colloids
(2020)
36
Operando Identification of the Chemical and Structural Origin of Li-Ion Battery Aging at Near-Ambient Temperature.
M-S Kim, B-H Lee, J-H Park, HS Lee, W Hooch Antink, E Jung, J Kim, TY Yoo, CW Lee, C-Y Ahn, SM Kang, J Bok, W Ko, X Wang, S-P Cho, S-H Yu, T Hyeon, Y-E Sung
Journal of the American Chemical Society
(2020)
142
Response to all reviewer comments
J Weber
(2020)
Photoelectrochemical devices with lead halide perovskite and bismuth vanadate light absorbers for unassisted solar fuel synthesis
V Andrei
(2020)