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Currently displaying 21 - 40 of 29588 publications

Supplementary material to "Deciphering the impacts of meteorology on surface ozone variability in eastern China using explainable machine learning models"

X Ye, L Zhang, X Wang, N Lu, S Hickman, G Luo, AT Archibald

(2026)

(doi: 10.5194/egusphere-2026-74-supplement)

The CP2K Program Package Made Simple

M Iannuzzi, J Wilhelm, F Stein, A Bussy, H Elgabarty, D Golze, A-S Hehn, M Graml, S Marek, BS Gökmen, C Schran, H Forbert, RZ Khaliullin, A Kozhevnikov, M Taillefumier, R Meli, VV Rybkin, M Brehm, R Schade, O Schütt, JV Pototschnig, H Mirhosseini, A Knüpfer, D Marx, M Krack, J Hutter, TD Kühne

J Phys Chem B

(2026)

acs.jpcb.5c05851

(doi: 10.1021/acs.jpcb.5c05851)

Spectroscopic Signatures of Structural Disorder and Electron-Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting.

RS Nielsen, AG Medaille, A Torrens, O Segura-Blanch, SR Kavanagh, DO Scanlon, A Walsh, E Saucedo, M Placidi, M Dimitrievska

Small methods

(2026)

e01841

(doi: 10.1002/smtd.202501841)

Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites.

H Windeck, D Willimetz, A Erlebach, CJ Heard, L Grajciar, F Berger, J Sauer

J Phys Chem Lett

(2026)

acs.jpclett.5c03794

(doi: 10.1021/acs.jpclett.5c03794)

Self-Calibrating Ratiometric DNA Aptamer Probe for Quantitative ATP Imaging in Living Cells.

Y Xu, K Morihiro, R Cong, SM Patil, I Wille, A Okamoto

Chemistry - A European Journal

(2026)

e03293

(doi: 10.1002/chem.202503293)

A cell-level model to predict the spatiotemporal dynamics of neurodegenerative disease

D Klenerman, G Meisl

PRX Life

(2026)

(doi: 10.1103/f9hz-xvpr)

Prediction of Protein-Ligand Binding Affinities Using Atomic Surface Site Interaction Points.

KJ Zator, MC Storer, CA Hunter

J Chem Inf Model

(2026)

1097

(doi: 10.1021/acs.jcim.5c02628)

To Be or Not to Be: The Elusive Nature of Wheland-type Intermediates in Zeolite-Catalyzed Aromatic Alkylation Revealed by CCSD(T)-quality Metadynamics

C Das, P Jarngal, F Berger, G Piccini

(2026)

(doi: 10.26434/chemrxiv-2026-2krfd)

17O-1H correlation NMR spectroscopy provides accessible and direct insights into CO2 capture chemistry

BJ Rhodes, JS Gomez, JS Hilliard, LL Schaaf, CR Wade, AC Forse

(2026)

(doi: 10.26434/chemrxiv-2026-kd8l2)

Demonstrating Electrochemical CO$_2$ Capture on Redox-Active Metal-Organic Frameworks

I Vetik, N Å½oglo, A Kosimov, R Cepitis, V Krasnenko, H Qing, P Chandra, K Mirica, R Rizo, E Herrero, J Solla-GullÃ³n, T Trisukhon, JW Gittins, AC Forse, V Grozovski, N Kongi, V Ivanistsev

(2026)

(doi: 10.48550/arxiv.2411.16444)

Liquid-liquid phase separation and amyloid aggregation in the 14-3-3 protein family

V Karalkevičiūtė, S Rapalytė, I Baronaitė, D Veiveris, V Smirnovas, M Žiaunys, D Šulskis

(2026)

(doi: 10.64898/2026.01.07.698245)

Weak unitary symmetries of open quantum dynamics: beyond quantum master equations

CA Brown, RL Jack, K Macieszczak

New Journal of Physics

(2026)

(doi: 10.1088/1367-2630/ae34da)

Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market

K von Borries, KV Beckwith, JM Goodman, WA Chiu, O Jolliet, P Fantke

Nature Communications

(2026)

647

(doi: 10.1038/s41467-025-67374-4)

Two optimized methods for the quantification of anthropogenic and biogenic markers in aerosol samples using liquid chromatography mass spectrometry and gas chromatography mass spectrometry

DL Pereira, A Gratien, C Giorio, E Mebold, T Bertin, C Gaimoz, J-F Doussin, P Formenti

Atmospheric Measurement Techniques

(2026)

(doi: 10.5194/amt-19-1-2026)

Steric Bulk Controls Δ/Λ Handedness Enabling Stereodivergent Self-Assembly of FeII2L3 Cages.

D Yang, S Zhao, Z Liu, X Zheng, R Li, H Chen, H Fu, JR Nitschke, W Xue

Inorg Chem

(2026)

1038

(doi: 10.1021/acs.inorgchem.5c05033)

Deletion of the moeA gene in Flavobacterium IR1 drives structural color shift from green to blue and alters polysaccharide metabolism.

Á Escobar Doncel, C Patinios, A Campos, MB Walter Costa, MV Turkina, M Murace, RHJ Staals, S Vignolini, BE Dutilh, CJ Ingham