#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

Looking forward to comparisons, experiences, and pointers to similar tools. #ComputationalChemistry #Enzymology #QMMM #MachineLearning #MolecularSimulation #MLforScience #ReactionMechanisms #DrugDiscovery #HPC #ChemRxiv 🧵 12/12

#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

Do you want to produce exactly the same #MOF #particles every time? Do you want to be able to control particle #size and size #distribution? Check out our latest manuscript on #ChemRxiv!
More details in my blog post:
https://lookingatnothing.com/index.php/archives/4581
#metalorganicframeworks #stirringmatters

#RobSelects preprint of the week #ChemRxiv: Understanding outcomes of exhaustive palladium-catalyzed Suzuki cross-couplings with dibromo- and dichloroarenes. #catalysis https://doi.org/10.26434/chemrxiv-2025-kzb89

#RobSelects preprint of the week #ChemRxiv: E-Selective hydrazine-mediated cross carbonyl-olefine metathesis. #orgchem https://doi.org/10.26434/chemrxiv-2025-hb5l1

#RobSelects preprint of the week #ChemRxiv: Computer-aided design of asymmetric chalcogen-bonding catalysts for a Reissert-type reaction of quinoline. #catalysis https://doi.org/10.26434/chemrxiv-2025-h42tq-v2

#RobSelects preprint of the week #ChemRxiv: Nucleophilic substitution of beta-substituted Michael acceptors catalyzed by dimethylaminopyridine. #catalysis https://doi.org/10.26434/chemrxiv-2025-8zrlk

#RobSelects preprint of the week #ChemRxiv: Bismuth(III) diamino(ylide) scorpionate complexes show potential for bismuth-ligand cooperativity. #orgmet https://doi.org/10.26434/chemrxiv-2025-x37pb

#RobSelects preprint of the week #ChemRxiv: Comprehensive mechanistic study of the oxidative aminative cleavage of alkenes with a hypervalent iodine oxidant and ammonium carbamate. #orgchem https://doi.org/10.26434/chemrxiv-2025-6cdgb

#RobSelects preprint of the week #ChemRxiv: Electrochemical oxidation of alkenes and pyridines to epoxides and N-oxides, respectively, with water as oxygen source. #catalysis https://doi.org/10.26434/chemrxiv-2025-bdcvh

Really compelling preprint on degradable, chemically recyclable poly(orthoester)s. I hope this lands somewhere good and gets the attention it deserves. Full disclosure: Brooks is a close friend. #chemistry #chemiverse #polymers #plastics #recycling #preprint #chemrxiv https://chemrxiv.org/engage/chemrxiv/article-details/689fcee7728bf9025eaa347e

#RobSelects preprint of the week #ChemRxiv: Comprehensive mechanistic study of disulfonimide-catalyzed atroposelective iodination of 2-amino-6-arylpyridines reveals Bronsted base catalysis. #catalysis https://doi.org/10.26434/chemrxiv-2025-hk0d9