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Currently displaying 721 - 740 of 29460 publications

The Influence of Electron Donors on the Charge Transfer Dynamics of Carbon Nanodots in Photocatalytic Systems

S Macpherson, T Lawson, A Abfalterer, P Andrich, A Lage, E Reisner, TG Euser, SD Stranks, AS Gentleman

– ACS catalysis

(2024)

14,

12006

(doi: 10.1021/acscatal.4c02327)

Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons

X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse

(2024)

(doi: 10.26434/chemrxiv-2024-kwnrh-v2)

Vibrational Energy Landscapes and Energy Flow in GPCRs

H Poudel, DJ Wales, DM Leitner

– The journal of physical chemistry. B

(2024)

128,

7568

(doi: 10.1021/acs.jpcb.4c04513)

17O NMR spectroscopy reveals CO2 speciation and dynamics in hydroxide-based carbon capture materials.

B Rhodes, L Schaaf, M Zick, S Pugh, J Hilliard, S Sharma, C Wade, G Csanyi, P Milner, A Forse

(2024)

(doi: 10.26434/chemrxiv-2024-c0vmg)

Thermal quenching of classical and semiclassical scrambling.

VG Sadhasivam, AC Hunt, L Meuser, Y Litman, SC Althorpe

– Physical Review E

(2024)

110,

l012204

(doi: 10.1103/physreve.110.l012204)

Expressed Protein Ligation in Flow

L Kambanis, A Ayoub, MJ Bedding, PHG Egelund, JWC Maxwell, C Franck, L Lambrechts, PME Hawkins, TS Chisholm, JP Mackay, E Sierecki, Y Gambin, SS Kulkarni, RJ Payne

– J Am Chem Soc

(2024)

146,

22027

(doi: 10.1021/jacs.4c07462)

Estimation of ligand binding free energy using multi-eGO.

B Stegani, E Scalone, F Bacic Toplek, T Lohr, S Gianni, M Vendruscolo, R Capelli, C Camilloni

(2024)

(doi: 10.26434/chemrxiv-2024-jcmgc)

Near-infrared luminescent open-shell π-conjugated systems with a bright lowest-energy zwitterionic singlet excited state

CP Yu, R Chowdhury, Y Fu, P Ghosh, W Zeng, TBE Mustafa, J Grüne, LE Walker, DG Congrave, XW Chua, P Murto, A Rao, H Sirringhaus, F Plasser, CP Grey, RH Friend, H Bronstein

– Sci Adv

(2024)

10,

eado3476

(doi: 10.1126/sciadv.ado3476)

A Modular Dual-catalytic Aryl-chlorination of Alkenes

M Gaunt, B Li, A Bunescu, D Drazen, K Rolph, J Michalland

– Angewandte Chemie - International Edition

(2024)

(doi: 10.1002/anie.202405939)

A Modular Dual-Catalytic Aryl-Chlorination of Alkenes

B Li, A Bunescu, D Drazen, K Rolph, J Michalland, MJ Gaunt

– Angewandte Chemie (International ed. in English)

(2024)

63,

e202405939

(doi: 10.1002/anie.202405939)

JCTC Early Career Board Selects

HGA Burton, SS Dong, S Ghosh, B Gu, NE Jackson, D Keefer, Y Lu, JI Monroe, B Peng, E Pieri, PR Spackman, M Vacher, S Vuckovic, D Williams-Young, ZJ Yang, S Yue, GH Zerze, T Zhu

– Journal of chemical theory and computation

(2024)

20,

5785

(doi: 10.1021/acs.jctc.4c00787)

How Accurate are Simulations and Experiments for the Lattice Energies of Molecular Crystals

F Della Pia, A Zen, D Alfè, A Michaelides

– Physical review letters

(2024)

133,

046401

(doi: 10.1103/PhysRevLett.133.046401)

Explainable Gaussian processes: a loss landscape perspective

MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales

– Machine Learning Science and Technology

(2024)

035025

(doi: 10.1088/2632-2153/ad62ad)

Microlens Hollow-Core Fiber Probes for Operando Raman Spectroscopy.

MJ Groom, E Miele, J Pinnell, MG Ellis, JB McConnell, H Sakr, G Jasion, I Davidson, N Wheeler, Y Jung, F Poletti, S Menkin, M Kamp, JJ Baumberg, TG Euser

– ACS photonics

(2024)

11,

3167

(doi: 10.1021/acsphotonics.4c00525)

Spin‐Glass States Generated in a van der Waals Magnet by Alkali‐Ion Intercalation

S Khan, ESY Aw, LAV Nagle-Cocco, A Sud, S Ghosh, MKB Subhan, Z Xue, C Freeman, D Sagkovits, A Gutiérrez-Llorente, I Verzhbitskiy, DM Arroo, CW Zollitsch, G Eda, EJG Santos, SE Dutton, ST Bramwell, CA Howard, H Kurebayashi

– Adv Mater

(2024)

36,

e2400270

(doi: 10.1002/adma.202400270)

Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}

AL Gunton, SJ Jenkins

– J Phys Chem A

(2024)

128,

6296

(doi: 10.1021/acs.jpca.4c02214)