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  • Currently displaying 1541 - 1560 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
HGA Burton, P-F Loos
(2023)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules.
E Gelžinytė, M Öeren, MD Segall, G Csányi
Journal of chemical theory and computation
(2023)
20
RASP: Optimal single fluorescent puncta detection in complex cellular backgrounds
B Fu, EE Brock, R Andrews, JC Breiter, R Tian, CE Toomey, J Lachica, T Lashley, M Ryten, NW Wood, M Vendruscolo, S Gandhi, LE Weiss, JS Beckwith, SF Lee
(2023)
Nonspecificity fingerprints for clinical-stage antibodies in solution
TW Herling, G Invernizzi, H Ausserwöger, JR Bjelke, T Egebjerg, S Lund, N Lorenzen, TPJ Knowles
Proceedings of the National Academy of Sciences of the United States of America
(2023)
120
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
D Hey
(2023)
Publisher Correction: Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD
S Basu, O Shukron, D Hall, P Parutto, A Ponjavic, D Shah, W Boucher, D Lando, W Zhang, N Reynolds, LH Sober, A Jartseva, R Ragheb, X Ma, J Cramard, R Floyd, J Balmer, TA Drury, AR Carr, L-M Needham, A Aubert, G Communie, K Gor, M Steindel, L Morey, E Blanco, T Bartke, L Di Croce, I Berger, C Schaffitzel, SF Lee, TJ Stevens, D Klenerman, BD Hendrich, D Holcman, ED Laue
Nature structural & molecular biology
(2023)
31
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
HGA Burton
(2023)
Cerebral organoids with chromosome 21 trisomy secrete Alzheimer's disease-related soluble aggregates detectable by single-molecule-fluorescence and super-resolution microscopy
E Fertan, D Böken, A Murray, JSH Danial, JYL Lam, Y Wu, PA Goh, I Alić, MR Cheetham, E Lobanova, YP Zhang, D Nižetić, D Klenerman
Mol Psychiatry
(2023)
29
The sensitivity of Southern Ocean atmospheric dimethyl sulfide (DMS) to modeled oceanic DMS concentrations and emissions
YA Bhatti, LE Revell, AJ Schuddeboom, AJ McDonald, AT Archibald, J Williams, AU Venugopal, C Hardacre, E Behrens
Atmospheric Chemistry and Physics
(2023)
23
Employment of Alkoxy Sidechains in Semicrystalline Semiconducting Polymers for Ambient-Stable p‑Doped Conjugated Polymers
T Kurosawa, Y Yamashita, Y Kobayashi, CP Yu, S Kumagai, T Mikie, I Osaka, S Watanabe, J Takeya, T Okamoto
Macromolecules
(2023)
57
Jahn-Teller distortions and phase transitions in LiNiO2: Insights from ab initio molecular dynamics and variable-temperature X-ray diffraction
AR Genreith-Schriever, A Alexiu, GS Phillips, CS Coates, LAV Nagle-Cocco, JD Bocarsly, FN Sayed, SE Dutton, CP Grey
(2023)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
E Gelžinytė, M Öeren, MD Segall, G Csányi
(2023)
Efficient Cu2O Photocathodes for Aqueous Photoelectrochemical CO2 Reduction to Formate and Syngas.
M Xia, L Pan, Y Liu, J Gao, J Li, M Mensi, K Sivula, SM Zakeeruddin, D Ren, M Grätzel
Journal of the American Chemical Society
(2023)
145
Development and application of chemical linking strategies for post-translational protein–protein conjugation
RJ Taylor
(2023)
pHbot: Self‐Driven Robot for pH Adjustment of Viscous Formulations via Physics‐informed‐ML**
A Chitre, J Cheng, S Ahamed, RCM Querimit, B Zhu, K Wang, L Wang, K Hippalgaonkar, AA Lapkin
Chemistry–Methods
(2023)
4
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction
SJ Cobb, S Rodríguez‐Jiménez, E Reisner
Angewandte Chemie
(2023)
136
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction.
SJ Cobb, S Rodríguez-Jiménez, E Reisner
Angewandte Chemie (International ed. in English)
(2023)
63
Effect of Ionic Association in the Catalytic Mechanism of Redox Mediators for Li-air Batteries: a Theoretical Framework
G Horwitz, V Kunz, S Niblett, C Grey
(2023)
An atomic surface site interaction point description of non-covalent interactions.
MC Storer, KJ Zator, DP Reynolds, CA Hunter
Chemical science
(2023)
15
Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells
GJP Fajardo, E Fiamegkou, JA Gott, H Wang, I Temprano, ID Seymour, MJW Ogley, AS Menon, IEL Stephens, M Ans, T-L Lee, PK Thakur, WM Dose, MFL De Volder, CP Grey, LFJ Piper
ACS Energy Letters
(2023)
8