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  • Currently displaying 1 - 20 of 29303 publications
Author(s)
Publication title
Journal Name
Publication year
Understanding Transition Metal Chemistry
S Boss, P Barker, J Field, A Peel
(2026)
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)
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
(2026)
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)
A cell-level model to predict the spatiotemporal dynamics of neurodegenerative disease
Anonymous
PRX Life
(2026)
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)
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)
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)
Weak unitary symmetries of open quantum dynamics: beyond quantum master equations
CA Brown, RL Jack, K Macieszczak
New Journal of Physics
(2026)
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
Deletion of the <i>moe</i>A gene in <i>Flavobacterium</i> 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
(2026)
Biomaterials with droplet microfluidics
JR Heck, Z Toprakcioglu, DA Weitz, TPJ Knowles
Nature Reviews Bioengineering
(2026)
Influence of precursor type on NMC811 cathode material properties: insights from spray pyrolysis synthesis and in situ XRD analysis
M Almazrouei, F Sayed, D Hou, CP Grey, K Luo, S Hochgreb, M De Volder, A Boies
Journal of Materials Chemistry A
(2026)
Synthesis of halogen bonding and crown ether-functionalised Ni( ii )-salen receptors for cation, anion and ion-pair recognition
JT Wilmore, A Docker, PD Beer
New Journal of Chemistry
(2026)
Comparative stability of the solid electrolyte interphase in potassium and sodium batteries
JF Schuster, L Anh, CA O’Keefe, CP Grey, R Younesi
Energy Advances
(2026)
Encoding molecular structures in quantum machine learning
C Boy, E Altamura, D Manawadu, I Tavernelli, S Mensa, DJ Wales
Machine Learning: Science and Technology
(2025)
6
Benchmarking Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective Inhibition
A Feito, N DeMoya-Valenzuela, C Privat, AR Tejedor, M DelValle-Carrillo, S Cembellín, L Paniagua-Herranz, A Garaizar, J Oller-Iscar, A Ocana, JR Espinosa
(2025)
Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos
H Sharif, LA McCall, MG Sanders, RJ Phipps
Angewandte Chemie
(2025)
Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos
H Sharif, LA McCall, MG Sanders, RJ Phipps
Angewandte Chemie International Edition
(2025)
Cryo-EM structures of NHEJ assemblies with nucleosomes.
C Hall, P Frit, A Kefala-Stavridi, A Pelletier, SW Hardwick, H Amin, MK Bilyard, T Maia De Oliviera, A Tariq, S Zahid, DY Chirgadze, S Balasubramanian, K Meek, V Ropars, J-B Charbonnier, M Modesti, P Calsou, S Britton, TL Blundell, T Schalch, AK Chaplin
Nature Communications
(2025)