#chemrxiv — Public Fediverse posts

#RobSelects preprint of the week #ChemRxiv: A thio-Mannich type three-component reaction with a carbon nucleophile and a sulfur nucleophile using sodium hydroxymethylsulfinate as one-carbon source. #orgchem https://doi.org/10.26434/chemrxiv.15007512/v1

#RobSelects preprint of the week #ChemRxiv: Phenoxythiazoline-supported cobalt-catalyzed cross-coupling of aryl bronic acids with alkyl halides promoted by triisopropyl borate. #catalysis https://doi.org/10.26434/chemrxiv.15007381/v1

#RobSelects preprint of the week #ChemRxiv: Reformulating g-xTB in the overlapping subsystem-based divide-and-conquer approach. #compchem https://doi.org/10.26434/chemrxiv.15007156/v1

#RobSelects preprint of the week #ChemRxiv: Dithiophosphoric acids as organocatalysts for radical chemistry. #catalysis https://doi.org/10.26434/chemrxiv.15006758/v1

#RobSelects preprint of the week #ChemRxiv: Mitsunobu reaction via iminophosphoranes formed in situ from aryl azides and trialkyl phosphines. #orgchem https://doi.org/10.26434/chemrxiv.15006188/v2

#RobSelects preprint of the week #ChemRxiv: Nickel-catalyzed enantioselective cross-coupling of alpha-bromo amides with alkylzirconocenes under blue light irradiation #catalysis https://doi.org/10.26434/chemrxiv.15005912/v1

#RobSelects preprint of the week #ChemRxiv: Nickel(0)-olefin pincer-catalyzed hydrogenation of carbonyls under mild conditions. #catalysis https://doi.org/10.26434/chemrxiv.15005286/v1

#RobSelects preprint of the week #ChemRxiv: Telemetry enables continuous thermometric and calorimetric monitoring of chemical reactions. #autochem https://doi.org/10.26434/chemrxiv.15005162/v1

#RobSelects preprint of the week #ChemRxiv: Photocatalyzed sulfonylative Pauson-Khand type reaction on 1,6-enynes. #catalysis https://doi.org/10.26434/chemrxiv.15004788/v1

#RobSelects preprint of the week #ChemRxiv: A density functional approximation incorporating a multilayer perceptron having integrals of local descriptors as features. #theochem https://doi.org/10.26434/chemrxiv.15004450/v2

#RobSelects preprint of the week #ChemRxiv: Multi-agent framework for planning and evaluating safety in chemistry and materials laboratories. #aichem https://doi.org/10.26434/chemrxiv.15004378/v1

#RobSelects preprint of the week #ChemRxiv: Reaction of iron carbenes with diazenes to form metallacyclobutanes that undergo subsequent cycloreversion. #orgmet https://doi.org/10.26434/chemrxiv-2025-10kzk/v2

#RobSelects preprint of the week #ChemRxiv: Nickel-catalyzed Suzuki-Miyaura cross coupling of ketones with boronic esters via in-situ ketone derivatization. #catalysis https://doi.org/10.26434/chemrxiv.15003005/v1

#RobSelects preprint of the week #ChemRxiv: Palladium-copper co-catalyzed carbenylative Buchwald-Hartwig coupling between aryl halides, N-tosylhydrazones, and anilines. #catalysis https://doi.org/10.26434/chemrxiv.15002705/v1

#RobSelects preprint of the week #ChemRxiv: Stereoselective nickel metallaphotoredox-catalyzed carbon-carbon cross-coupling of alcohols with gem-dibromoalkenes. #catalysis https://doi.org/10.26434/chemrxiv.15002635/v1

#RobSelects preprint of the week #ChemRxiv: Addition of hydroxylamines across cyclooctynes to form nitrones. #orgchem https://doi.org/10.26434/chemrxiv.15002347/v1

#RobSelects preprint of the week #ChemRxiv: Integrating deep generative models into automated transition state discovery workflows. #aichem https://doi.org/10.26434/chemrxiv.15002135/v1

#RobSelects preprint of the week #ChemRxiv: Methylbutyl boronate salt as methylation reagent in Suzuki-Miyaura cross couplings. #catalysis https://doi.org/10.26434/chemrxiv.15001572/v1

#ChemRxiv, der internationale Preprint-Server für die chemische Forschung, ist erfolgreich auf eine neue technische Plattform umgezogen. Was genau das bedeutet und welche Rolle wir als #TIB dabei haben, erfahrt ihr hier: https://www.tib.eu/de/aktuelles/detail/chemrxiv-auf-neuer-technischer-plattform

#RobSelects preprint of the week #ChemRxiv: Photochemical conversion of aryl azides into pyridines via triplet aryl nitrenes. #orgchem https://doi.org/10.26434/chemrxiv-2026-jn9zb

#RobSelects preprint of the week #ChemRxiv: Photochemical isomerization of N-substituted pyrazoles to imidazoles. #orgchem https://doi.org/10.26434/chemrxiv-2026-68vcj

#RobSelects preprint of the week #ChemRxiv: Designing a hemilabile bisphosphine ligand for sterically hindered nickel-catalyzed Suzuki-Miyaura cross couplings. #catalysis https://doi.org/10.26434/chemrxiv-2025-q7td5

#RobSelects preprint of the week #ChemRxiv: Utilizing simulated descriptors from catalytically relevant structures for enantioselectivity prediction and optimization. #catalysis https://doi.org/10.26434/chemrxiv-2025-f5ddv-v2

#RobSelects preprint of the week #ChemRxiv: Three-step one-pot protocol for cycloaddition-cycloreversion metathesis of ketenes and nitroso benzene to form ketones and phenyl isocyanate. #catalysis https://doi.org/10.26434/chemrxiv-2025-b0fgk

#RobSelects preprint of the week #ChemRxiv: Photocatalytic decarboxylative trifluoroethylation of aliphatic carboxylic acids. #catalysis https://doi.org/10.26434/chemrxiv-2025-9jfwq

#RobSelects preprint of the week #ChemRxiv: Metallaphotoredox iron-catalyzed cyclopropanation of alkenes with both aldehydes and ketones through iron-carbene generation. #catalysis https://doi.org/10.26434/chemrxiv-2025-lsdnn

#RobSelects preprint of the week #ChemRxiv: Extracting organometallic reactivity data from openly available electronic supplementary information documents. #cheminf https://doi.org/10.26434/chemrxiv-2025-ccgfs

#RobSelects preprint of the week #ChemRxiv: Universal neural network potential for modeling molecular excited states at the accuracy of TD-DFT approaches. #compchem https://doi.org/10.26434/chemrxiv-2025-j207x-v2

#RobSelects preprint of the week #ChemRxiv: Modeling non-covalent interactions in both neutral and charged systems with the r²SCAN functional plus many-body dispersion evaluated on Hartree-Fock electron densities. #compchem https://doi.org/10.26434/chemrxiv-2025-jx112-v2

#RobSelects preprint of the week #ChemRxiv: Intermolecular alkene hydroamination promoted by single electron reduction. #orgchem https://doi.org/10.26434/chemrxiv-2025-fblsl