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  • Currently displaying 641 - 660 of 31859 publications
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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
The journal of physical chemistry. B
(2026)
130
Volumetric Single-Molecule Tracking Inside Subcellular Structures.
S Daly, JE Chambers, C Jones, B Fu, JD Manton, JS Beckwith, SJ Marciniak, DC Gershlick, SF Lee
Small (Weinheim an der Bergstrasse, Germany)
(2026)
22
An Activity-Based Sensing Approach to Monitor Nanomaterial-Promoted Changes in Labile Metal Pools in Living Systems.
J Bonet-Aleta, AT Pezacki, M Oi, JL Hueso, J Santamaria, CJ Chang
Chem Biomed Imaging
(2026)
4
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)
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)
Revisiting Jahn--Teller Transitions in Correlated Oxides with Monte Carlo Modeling
LAV Nagle-Cocco, AL Goodwin, CP Grey, SE Dutton
(2026)
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 (Weinheim an der Bergstrasse, Germany)
(2026)
32
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
Journal of Physical Chemistry Letters
(2026)
17
Prediction of Protein-Ligand Binding Affinities Using Atomic Surface Site Interaction Points.
KJ Zator, MC Storer, CA Hunter
Journal of Chemical Information and Modeling
(2026)
66
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)
10
Ultrasensitive detection of Cu(II) ions using iodide-driven AgNPs-Based nanosensor Integrated with an and logic gate processing
A Bibi, H Khan, A Niaz, MI Zaman, KA Shah, W Syed, D Lin, MBA Al-Rawi
Physica E Low-dimensional Systems and Nanostructures
(2026)
179
Targeting aberrant condensate formation in fusion-positive cancers with an integrated discovery platform
A Seeber, WE Arter, S Qamar, C Sgambato, A Alex, K Saar, J Doh, M Kulander, T Knowles, S Arora
Cancer Research
(2026)
86
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)
Demonstrating Electrochemical CO$_2$ Capture on Redox-Active Metal-Organic Frameworks
I Vetik, N Žoglo, A Kosimov, R Cepitis, V Krasnenko, H Qing, P Chandra, K Mirica, R Rizo, E Herrero, J Solla-Gullón, T Trisukhon, JW Gittins, AC Forse, V Grozovski, N Kongi, V Ivanistsev
(2026)
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)
Suppression of CSF2RA macrophage polarisation impacts pathological cardiac remodelling in mice.
G Kremastiotis, Y Li, A Bond, D Shanahan, KD Gregoli, AW Poole, SJ George, JL Johnson
Scientific Reports
(2026)
16
Liquid-liquid phase separation and amyloid aggregation in the 14-3-3 protein family
S Rapalytė, V Karalkevičiūtė, I Baronaitė, D Veiveris, V Smirnovas, M Žiaunys, D Šulskis
(2026)
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
Nat Commun
(2026)
17
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)
19
Selective intersectionality: far-right populist Re-casting of social discontent in Europe’s green transition
M Yazar, E Kesküla, A Anger-Kraavi
Environmental Politics
(2026)
ahead-of-print