Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 1521 - 1540 of 29852 publications
Author(s)
Publication title
Journal Name
Publication year
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
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
D Hey
(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
Molecular Psychiatry
(2023)
29
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
HGA Burton
(2023)
Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD ( vol 30 , pg 1628 , 2023)
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
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
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
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
Development and application of chemical linking strategies for post-translational protein–protein conjugation
RJ Taylor
(2023)
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
J Am Chem Soc
(2023)
145
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction
SJ Cobb, S Rodríguez-Jiménez, E Reisner
Angewandte Chemie International Edition
(2023)
63
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction
SJ Cobb, S Rodríguez‐Jiménez, E Reisner
Angewandte Chemie
(2023)
136
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
Algorithmic Approaches for Context-Informed Reaction Prediction
D Wigh
(2023)
Superstructure and Correlated Na+ Hopping in a Layered Mg-Substituted Sodium Manganate Battery Cathode are Driven by Local Electroneutrality
EN Bassey, ID Seymour, JD Bocarsly, DA Keen, G Pintacuda, CP Grey
Chem Mater
(2023)
35
Understanding the patterns and health impact of indoor air pollutant exposures in Bradford, UK: a study protocol
E Ikeda, J Hamilton, C Wood, L Chatzidiakou, T Warburton, A Ruangkanit, Y Shao, D Genes, D Waiblinger, TC Yang, C Giorio, G McFiggans, SP O'Meara, P Edwards, E Bates, DR Shaw, RL Jones, N Carslaw, R McEachan
BMJ Open
(2023)
13