Chemical Science
Journal Abbreviation: CHEM SCI
ISSN: 2041-6520
eISSN: 2041-6539
Publisher: Royal Society of Chemistry
Publications (117)
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023 (2025)
Poltavsky I, Puleva M, Charkin-Gorbulin A, Fonseca G, Batatia I, Browning NJ, Chmiela S, et al.
Journal article
Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon (2025)
Thum S, Mai J, Schmidt M, Langer J, Harder S
Journal article
Establishing the stability number descriptor for Fe-N-C fuel cell electrocatalysts (2025)
Ku YP, Kumar K, Bonnefont A, Jiao L, Mazzucato M, Durante C, Jaouen F, Cherevko S
Journal article
Pd single atoms on g-C3N4 photocatalysts: minimum loading for maximum activity (2025)
Velu J, Wu S, Qin S, Zhou X, Sarma BB, Doronkin DE, Kolařík J, et al.
Journal article
Tuning the selectivity of P4 reduction at alkaline-earth metal centres (2025)
Thum S, Townrow O, Langer J, Harder S
Journal article
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion (2025)
Zhu Y, Borstelmann J, Neiß C, Wei Z, Görling A, Kivala M, Petrukhina MA
Journal article
SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics (2024)
Mausenberger S, Müller C, Tkatchenko A, Marquetand P, González L, Westermayr J
Journal article
Analysis of the cryptic biosynthetic gene cluster encoding the RiPP curacozole reveals a phenylalanine-specific peptide hydroxylase (2024)
Hollands S, Tasch J, Simon DJ, Wassouf D, Barber I, Gessner A, Bechthold A, Zechel DL
Journal article
s-Block metal complexes of superbulky (tBu3Si)2N-: a new weakly coordinating anion? (2024)
Knüpfer C, Klerner L, Mai J, Langer J, Harder S
Journal article
On the existence of low-valent magnesium-calcium complexes (2023)
Mai J, Rösch B, Patel N, Langer J, Harder S
Journal article