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  • Currently displaying 2701 - 2720 of 31569 publications
Author(s)
Publication title
Journal Name
Publication year
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
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)
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
Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex
K Das, A Kundu, K Sarkar, D Adhikari, B Maji
Chemical Science
(2023)
15
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)
Atomistic fracture in bcc iron revealed by active learning of Gaussian approximation potential
L Zhang, G Csányi, E van der Giessen, F Maresca
npj Computational Materials
(2023)
9
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
Structure and bonding in rhodium coordination compounds: a 103Rh solid-state NMR and relativistic DFT study.
ST Holmes, J Schönzart, AB Philips, JJ Kimball, S Termos, AR Altenhof, Y Xu, CA O'Keefe, J Autschbach, RW Schurko
Chem Sci
(2023)
15
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
Chemistry of Materials
(2023)
35
Algorithmic Approaches for Context-Informed Reaction Prediction
D Wigh
(2023)
Machine learning of microscopic structure-dynamics relationships in complex molecular systems
M Crippa, A Cardellini, M Cioni, G Csányi, GM Pavan
Machine Learning: Science and Technology
(2023)
4
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
A nanomedicine approach to targeting cuproplasia in cancer: Labile copper sequestration using polydopamine nanoparticles blocks tumor growth in vivo through altering metabolism and redox homeostasis.
J Bonet Aletá, M Encinas-Giménez, M Oi, AT Pezacki, V Sebastián, A de Martino, A Martín-Pardillos, P Martin-Duque, JL Hueso, CJ Chang, J Santamaría
(2023)
Reversible Ultrafast Chiroptical Responses in Planar Plasmonic Nano-Oligomer.
F Wang, Z Han, J Sun, X Yang, X Wang, Z Tang
Advanced materials (Deerfield Beach, Fla.)
(2023)
36
Selective Single-Molecule Nanopore Detection of mpox A29 Protein Directly in Biofluids
S Cai, R Ren, J He, X Wang, Z Zhang, Z Luo, W Tan, Y Korchev, JB Edel, AP Ivanov
Nano Lett
(2023)
23
Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation Generation
O Weser, A Alavi, GL Manni
Journal of Chemical Theory and Computation
(2023)
19
Supramolecular recognition and mechanically interlocked molecules based on imidazoliums and crown ethers
H Xu, K Zhu
SCIENTIA SINICA Chimica
(2023)
53
Origin of dielectric polarization suppression in confined water from first principles
T Dufils, C Schran, J Chen, AK Geim, L Fumagalli, A Michaelides
Chemical science
(2023)
15