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  • Currently displaying 1261 - 1280 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: Translational eigenstates of Ne@C70
K Panchagnula, D Graf, ER Johnson, AJW Thom
Journal of Chemical Physics
(2024)
161
Displacive Jahn--Teller transition in NaNiO$_2$
LAV Nagle-Cocco, AR Genreith-Schriever, JMA Steele, C Tacconis, JD Bocarsly, O Mathon, JC Neuefeind, J Liu, CA O'Keefe, AL Goodwin, CP Grey, JSO Evans, SE Dutton
(2024)
Harvesting photocurrents from cyanobacteria and algae
EI Wroe, RM Egan, SJ Willyam, L Shang, JZ Zhang
Current Opinion in Electrochemistry
(2024)
46
Revealing Ion Adsorption and Charging Mechanisms in Layered Metal-Organic Framework Supercapacitors with Solid-State Nuclear Magnetic Resonance
C Balhatchet, J Gittins, S-J Shin, K Ge, X Liu, T Trisukhon, S Sharma, T Kress, P-L Taberna, P Simon, A Walsh, A Forse
(2024)
Short-term air pollution and greenness exposures on oxidative stress in urban and peri-urban residents in Beijing: A part of AIRLESS study.
W Qi, H Zhang, Y Han, W Chen, Y Teng, L Chatzidiakou, B Barratt, R Jones, F Kelly, T Zhu, J Zhang, JS Ji, AIRLESS Team
The Science of the total environment
(2024)
951
Oxygen Dimerization as a Defect-Driven Process in Bulk LiNiO2
AG Squires, L Ganeshkumar, CN Savory, SR Kavanagh, DO Scanlon
ACS Energy Letters
(2024)
9
Enantioselective Nitrene Transfer to Hydrocinnamyl Alcohols and Allylic Alcohols Enabled by Systematic Exploration of the Structure of Ion-Paired Rhodium Catalysts
NJ Hodson, S Takano, A Fanourakis, RJ Phipps
Journal of the American Chemical Society
(2024)
146
Assessment of Fine-Tuned Large Language Models for Real-World Chemistry and Material Science Applications
J van Herck, MV Gil, KM Jablonka, A Abrudan, A Anker, M Asgari, B Blaiszik, L Choudhury, C Corminboeuf, H Daglar, IT Foster, S Garcia, M Garvin, G Godin, LL Good, J Gu, NX Hu, X Jin, T Junkers, S Keskin, TPJ Knowles, R Laplaza, S Majumdar, H Mashhadimoslem, RD McIntosh, SM Moosavi, B Mourino, F Nerli, C Pevida, N Poudineh, M Rajabi-Kochi, KL Saar, FH Saboor, M Sagharichiha, K Schmidt, J Shi, D Svatunek, M Taddei, I Tetko, D Tolnai, S Vahdatifar, J Whitmer, F Wieland, R Willumeit-Romer, A Zuttel, B Smit
(2024)
Anisotropic Heterobimetallic Nanomaterials with Controlled Composition for Efficient Oxygen Reduction at Ultralow Loading
S Ming, SJ Cobb, M Rahaman, N Sammy, E Reisner, AEH Wheatley
Advanced Functional Materials
(2024)
34
Molecular properties and diagnostic potential of monoclonal antibodies targeting cytotoxic α-synuclein oligomers.
J Nielsen, J Lauritsen, JN Pedersen, JS Nowak, MK Bendtsen, G Kleijwegt, K Lusser, LC Pitarch, JV Moreno, MM Schneider, G Krainer, L Goksøyr, P Khalifé, SS Kaalund, S Aznar, M Kjærgaard, V Sereikaité, K Strømgaard, TPJ Knowles, MA Nielsen, AF Sander, M Romero-Ramos, DE Otzen
NPJ Parkinson's disease
(2024)
10
Phase transitions in rolling of irregular cylinders and spheres
D Qian, Y Jung, L Mahadevan
(2024)
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
Vibrational Energy Landscapes and Energy Flow in GPCRs
H Poudel, DJ Wales, DM Leitner
The journal of physical chemistry. B
(2024)
128
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
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(2024)
Observation of a Reversible Order‐Order Transition in a Metal‐Organic Framework – Ionic Liquid Nanocomposite Phase‐Change Material
V Nozari, ANV Azar, R Sajzew, C Castillo-Blas, A Kono, M Oschatz, DA Keen, PA Chater, GP Robertson, JMA Steele, L León-Alcaide, A Knebel, CW Ashling, TD Bennett, L Wondraczek
Small (Weinheim an der Bergstrasse, Germany)
(2024)
20
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
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)
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)