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  • Currently displaying 1021 - 1040 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Chemically-informed coarse-graining of electrostatic forces in charge-rich biomolecular condensates
AR Tejedor, AA Gonzalez, MJ Maristany, PY Chew, K Russell, J Ramirez, JR Espinosa, R Collepardo-Guevara
(2024)
Thermal quenching of classical and semiclassical scrambling
VG Sadhasivam, AC Hunt, L Meuser, Y Litman, SC Althorpe
Physical review. E
(2024)
110
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)
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(2024)
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
Vibrational Energy Landscapes and Energy Flow in GPCRs.
H Poudel, DJ Wales, DM Leitner
J Phys Chem B
(2024)
128
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)
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
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)
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
Science Advances
(2024)
10
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
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
A Modular Dual-catalytic Aryl-chlorination of Alkenes
B Li, A Bunescu, D Drazen, K Rolph, J Michalland, MJ Gaunt
Angew Chem Int Ed Engl
(2024)
63
Explainable Gaussian processes: a loss landscape perspective
MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales
Machine Learning Science and Technology
(2024)
5
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
Vortex light field microscopy: 3D spectral single-molecule imaging with a twist
B Zhang, S Daly, C Zhu, MO Lenz, LE Weiss, L-M Needham, R Peters, SF Lee, K O’Holleran
(2024)
Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}.
AL Gunton, SJ Jenkins
The Journal of Physical Chemistry A
(2024)
128
Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws
MJ Maristany, AA Gonzalez, JR Espinosa, J Huertas, R Collepardo-Guevara, JA Joseph
(2024)
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
Advanced materials (Deerfield Beach, Fla.)
(2024)
36
Selective sodium halide over potassium halide binding and extraction by a heteroditopic halogen bonding [2]catenane
HM Tay, A Docker, C Hua, PD Beer
Chemical Science
(2024)
15