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Currently displaying 81 - 100 of 27953 publications

Can GW handle multireference systems?

A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos

– The Journal of chemical physics

(2024)

160,

114101

(doi: 10.1063/5.0196561)

Can $GW$ Handle Multireference Systems?

A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos

– Journal of Chemical Physics

(2024)

(doi: 10.48550/arxiv.2401.03745)

Multicomponent Synthesis of α-Branched Amines via a Zinc-Mediated Carbonyl Alkylative Amination Reaction

JM Phelps, R Kumar, JD Robinson, JCK Chu, NJ Flodén, S Beaton, MJ Gaunt

– J Am Chem Soc

(2024)

146,

9045

(doi: 10.1021/jacs.3c14037)

Palladium (II)-Catalyzed C-H Activation with Bifunctional Ligands: From Curiosity to Industrialization.

K Wu, N Lam, DA Strassfeld, Z Fan, JX Qiao, T Liu, D Stamos, J-Q Yu

– Angewandte Chemie - International Edition

(2024)

63,

e202400509

(doi: 10.1002/anie.202400509)

Suppressing Cis/Trans 'Ring-Flipping' in Organoaluminium(III)-2-Pyridyl Dimers-Design Strategies Towards Lewis Acid Catalysts for Alkene Oligomerisation.

D Choudhury, CC Lam, NL Farag, J Slaughter, AD Bond, JM Goodman, DS Wright

– Chemistry

(2024)

e202303872

(doi: 10.1002/chem.202303872)

Suppression of Dexter transfer by covalent encapsulation for efficient matrix-free narrowband deep blue hyperfluorescent OLEDs

H-H Cho, DG Congrave, AJ Gillett, S Montanaro, HE Francis, V Riesgo-Gonzalez, J Ye, R Chowdury, W Zeng, MK Etherington, J Royakkers, O Millington, AD Bond, F Plasser, JM Frost, CP Grey, A Rao, RH Friend, NC Greenham, H Bronstein

– Nature materials

(2024)

23,

(doi: 10.1038/s41563-024-01812-4)

Electrostatic [FeFe]-hydrogenase–carbon nitride assemblies for efficient solar hydrogen production

Y Liu, C Pulignani, S Webb, SJ Cobb, S Rodríguez-Jiménez, D Kim, RD Milton, E Reisner

– Chemical science

(2024)

15,

6088

(doi: 10.1039/d4sc00640b)

Insights into charge transfer dynamics of Li batteries through temperature-dependent electrochemical impedance spectroscopy (EIS) utilizing symmetric cell configuration

MA Zabara, G Katırcı, FE Civan, A Yürüm, SA Gürsel, B Ülgüt

– Electrochimica Acta

(2024)

485,

144080

(doi: 10.1016/j.electacta.2024.144080)

Analysis of UKESM1-StratTrop CCMI2022 experiments with a focus on ozone trends

P Griffiths, J Keeble, L Abraham

(2024)

(doi: 10.5194/egusphere-egu24-20001)

Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression.

K Panchagnula, D Graf, FEA Albertani, AJW Thom

– The Journal of chemical physics

(2024)

160,

104303

(doi: 10.1063/5.0197903)

Estimating the causal effect of temperature on ozone air pollution

S Hickman, P Griffiths, P Nowack, A Archibald

(2024)

(doi: 10.5194/egusphere-egu24-12694)

Modelling the Global Uncertainty of Hydrogen Deposition

M Brown, A Archibald, L Abraham, N Warwick, P Griffiths

(2024)

(doi: 10.5194/egusphere-egu24-16477)

Ligand-Directed Self-Assembly of Organic-Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion

V Gray, DTW Toolan, S Dowland, JR Allardice, MP Weir, Z Zhang, J Xiao, A Klimash, JF Winkel, EK Holland, GM Fregoso, JE Anthony, H Bronstein, R Friend, AJ Ryan, RAL Jones, NC Greenham, A Rao

– Journal of the American Chemical Society

(2024)

146,

7763

(doi: 10.1021/jacs.4c00125)

Uncertainties in tropospheric ozone changes due to natural precursor emissions

X Ye, X Wang, D Li, P Griffiths, A Archibald, L Zhang

(2024)

(doi: 10.5194/egusphere-egu24-4434)

Rationale for the extrapolation procedure in selected configuration interaction.

HGA Burton, P-F Loos

– The Journal of chemical physics

(2024)

160,

104102

(doi: 10.1063/5.0192458)

Historical sulfate aerosol formation in earth system model with interactive-chemistry: interplay between emission location, seasonality, meteorology and available oxidants

V Sakulsupich, P Griffiths, A Archibald

(2024)

(doi: 10.5194/egusphere-egu24-1018)

Uncovering the effect of fires in Jambi, Riau, and South Sumatra on PM2.5 concentration levels in Greater Kuala Lumpur during September 2019 transboundary haze pollution

J Murulitharan, A Archibald, C Giorio

(2024)

(doi: 10.5194/egusphere-egu24-8954)

Low-temperature open-atmosphere growth of WO 3 thin films with tunable and high-performance photoresponse

Z Sun, S Bhattacharjee, M Xiao, W Li, MO Hill, RA Jagt, LV Delumeau, KP Musselman, E Reisner, J MacManus-Driscoll

– Journal of Materials Chemistry C

(2024)

12,

4779

(doi: 10.1039/D3TC02257A)