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Currently displaying 3181 - 3200 of 29453 publications

SSIPTools: Software and Methodology for Surface Site Interaction Point (SSIP) Approach and Applications

MD Driver, MJ Williamson, N De Mitri, T Nikolov, CA Hunter

– Journal of chemical information and modeling

(2021)

61,

5331

(doi: 10.1021/acs.jcim.1c01006)

Peptide sequence-driven direct electron transfer properties and binding behaviors of gold-binding peptide-fused glucose dehydrogenase on electrode

H Lee, EM Lee, SS Reginald, IS Chang

– iScience

(2021)

24,

103373

(doi: 10.1016/j.isci.2021.103373)

Revealing Carbon Capture Chemistry with 17-Oxygen NMR Spectroscopy

A Berge, S Pugh, M Short, Z Lu, J-H Lee, C Pickard, A Forse

(2021)

(doi: 10.26434/chemrxiv-2021-09vcw)

Simultaneous enhancement of thermally activated delayed fluorescence and photoluminescence quantum yield via homoconjugation

S Montanaro, P Pander, M Elsegood, S Teat, A Bond, I Wright, D Congrave, M Etherington

(2021)

(doi: 10.26434/chemrxiv-2021-p3h9s)

Simultaneous enhancement of thermally activated delayed fluorescence and photoluminescence quantum yield via homoconjugation

S Montanaro, P Pander, M Elsegood, S Teat, A Bond, I Wright, D Congrave, M Etherington

(2021)

(doi: 10.33774/chemrxiv-2021-p3h9s)

Reforming of Soluble Biomass and Plastic Derived Waste Using a Bias-Free Cu30Pd70

S Bhattacharjee, V Andrei, C Pornrungroj, M Rahaman, CM Pichler, E Reisner

– Advanced Functional Materials

(2021)

32,

2109313

(doi: 10.1002/adfm.202109313)

The first-principles phase diagram of monolayer nanoconfined water

V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides

(2021)

(doi: 10.48550/arxiv.2110.14569)

Duplex vs. folding: tuning the self-assembly of synthetic recognition-encoded aniline oligomers.

D Rosa-Gastaldo, V Pečiukėnas, CA Hunter, L Gabrielli

– Organic & biomolecular chemistry

(2021)

19,

8947

(doi: 10.1039/d1ob01882e)

Learning intermolecular forces at liquid-vapor interfaces.

SP Niblett, M Galib, DT Limmer

– J Chem Phys

(2021)

155,

164101

(doi: 10.1063/5.0067565)

Improving the understanding of the influence of emissions of biogenic volatile organic compounds on climate.

J Weber

(2021)

(doi: 10.17863/CAM.81484)

The Structure of Bis(catecholato)silanes: Phase Adaptation by Dynamic Covalent Chemistry of the Si-O Bond.

D Hartmann, T Thorwart, R Müller, J Thusek, J Schwabedissen, A Mix, J-H Lamm, B Neumann, NW Mitzel, L Greb

– Journal of the American Chemical Society

(2021)

143,

18784

(doi: 10.1021/jacs.1c09746)

Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands

JE Waters, S Hanf, M Rincón-Nocito, AD Bond, R García-Rodríguez, DS Wright, AL Colebatch

– Dalton transactions (Cambridge, England : 2003)

(2021)

50,

14551

(doi: 10.1039/d1dt02438h)

Bimetallic Zero-Valent Alloy with Measured High-Valent Surface States to Reinforce the Bifunctional Activity in Rechargeable Zinc-Air Batteries

S Das, S Bhattacharjee, S Mondal, S Dutta, N Bothra, SK Pati, S Bhattacharyya

– ACS Sustainable Chemistry & Engineering

(2021)

14868

(doi: 10.1021/acssuschemeng.1c04970)

Exploring the sensitivity of atmospheric nitrate concentrations to nitric acid uptake rate using the Met Office's Unified Model

AC Jones, A Hill, S Remy, NL Abraham, M Dalvi, C Hardacre, AJ Hewitt, B Johnson, JP Mulcahy, ST Turnock

– Atmospheric Chemistry and Physics

(2021)

21,

15901

(doi: 10.5194/acp-21-15901-2021)

Bioorthogonal Self-Immolative Linker Based on Grob Fragmentation

X Ferhati, M Salas-Cubero, P Garrido, J García-Sanmartín, A Guerreiro, A Avenoza, JH Busto, JM Peregrina, A Martínez, E Jiménez-Moreno, GJL Bernardes, F Corzana

– Organic letters

(2021)

23,

8580

(doi: 10.1021/acs.orglett.1c03299)