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  • Currently displaying 1041 - 1060 of 29865 publications
Author(s)
Publication title
Journal Name
Publication year
Thermal quenching of classical and semiclassical scrambling
VG Sadhasivam, AC Hunt, L Meuser, Y Litman, SC Althorpe
Physical review. E
(2024)
110
Vibrational Energy Landscapes and Energy Flow in GPCRs.
H Poudel, DJ Wales, DM Leitner
The journal of physical chemistry. B
(2024)
128
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(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
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)
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
Sci Adv
(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
J Chem Theory Comput
(2024)
20
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
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 fibre probes for operando Raman spec-troscopy
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
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)
Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}.
AL Gunton, SJ Jenkins
J Phys Chem A
(2024)
128
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)
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
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
Coordination of dissolved transition metals in pristine battery electrolyte solutions determined by NMR and EPR spectroscopy
JP Allen, C Szczuka, HE Smith, E Jónsson, R-A Eichel, J Granwehr, CP Grey
Physical Chemistry Chemical Physics
(2024)
26
Highly stretchable dynamic hydrogels for soft multilayer electronics
S O'Neill, Z Huang, X Chen, R Sala, J McCune, G Malliaras, O Scherman
Science advances
(2024)
10
Investigating in vitro Alpha-Synuclein Aggregation of Parkinson's Disease
H Dakin
(2024)