#RobSelects preprint of the week #ChemRxiv: Computational workflow for the systematic exploration of the reactivity space of catalyst families. #compchem https://doi.org/10.26434/chemrxiv-2023-f76nv-v2

#RobSelects preprint of the week #ChemRxiv: Expanding ALFABET for the prediction of bond dissociation energies of organic molecules with heteroatoms including sulfur, phosphorus, and the halogens. #aichem https://doi.org/10.26434/chemrxiv-2023-d147w

#RobSelects preprint of the week #ChemRxiv: Determination of heavy-atom competitive kinetic isotope effects via matrix assistet laser desorption ionization time of flight mass spectrometry. #physchem https://doi.org/10.26434/chemrxiv-2023-sw8wd

#RobSelects preprint of the week #ChemRxiv: A python package for automated extraction and analysis of liquid chromatography-mass spectrometry data. #cheminf https://doi.org/10.26434/chemrxiv-2023-1x288

#RobSelects preprint of the week #ChemRxiv: Workflow for modeling condensed-phase reactions with explicit solvation via neural network potentials. #compchem https://doi.org/10.26434/chemrxiv-2023-ktscq

#RobSelects preprint of the week #ChemRxiv: Formation and hydrolysis of mixed anhydrides between organophosphates and carboxylates as robust chemically-driven reaction cycles. #orgchem https://doi.org/10.26434/chemrxiv-2023-5j129

#RobSelects preprint of the week #ChemRxiv: Applying a genetic algorithm for ligand optimization in the Schrock catalyst for dinitrogen fixation. #compchem https://doi.org/10.26434/chemrxiv-2023-t73mw

#RobSelects preprint of the week #ChemRxiv: Developing a framework for analysis of conformer ensembles to prioritze subsequent reevaluation at a higher level of theory. #compchem https://doi.org/10.26434/chemrxiv-2023-vhlgg-v2

#RobSelects preprint of the week #ChemRxiv: Implementing a robotic platform for autonomous optimization of photochemical reactions, and their intensification and scale-up, in flow #autochem https://doi.org/10.26434/chemrxiv-2023-r0drq

#RobSelects preprint of the week #ChemRxiv: Monitoring poisoning of Pd-catalyzed cross couplings by metallic mercury via electrospray ionization mass spectrometry. #catalysis https://doi.org/10.26434/chemrxiv-2023-mfngl

#RobSelects preprint of the week #ChemRxiv: Coupling absolutely localized molecular orbitals with the rigid rotor-harmonic oscillator model for Gibbs free energy decomposition. #compchem https://doi.org/10.26434/chemrxiv-2023-r9wfz

#RobSelects preprint of the week #ChemRxiv: Implementing Schlenk line techniques into an automated chemical synthesis platform. #autochem https://doi.org/10.26434/chemrxiv-2023-g3pkc

#RobSelects preprint of the week #ChemRxiv: A python package for evolutionary optimization of protein sequences and structures. #compchem https://doi.org/10.26434/chemrxiv-2023-gb366

#RobSelects preprint of the week #ChemRxiv: Cross-coupling of aryl halides with carbon dioxide and dialkyl amines to form aryl carbamates via dual nickel- and organophoto-catalysis. #catalysis https://doi.org/10.26434/chemrxiv-2023-5h6pr

#RobSelects preprint of the week #ChemRxiv: Direct allylation of in situ-generated diarylmethanimines with 1-allylsilatrane. #orgchem https://doi.org/10.26434/chemrxiv-2023-2q6df

#RobSelects preprint of the week #ChemRxiv: Comparison of mono- and bisphosphine nickel precatalysts for Suzuki-Miyaura cross-couplings in terms of mechanism and performance. #catalysis https://doi.org/10.26434/chemrxiv-2023-dxhft

#RobSelects preprint of the week #ChemRxiv: Learning implicit molecule scoring functions from expert annotations of pairwise comparisons. #aichem https://doi.org/10.26434/chemrxiv-2023-knwnv-v2

#RobSelects preprint of the week #ChemRxiv: Colorimetric reaction monitoring and process optimization of peptide synthesis enabled by video recording. #orgchem https://doi.org/10.26434/chemrxiv-2023-tp5n9

#RobSelects preprint of the week #ChemRxiv: Closed-loop optimization of benzoylation of unprotected glycosides for regioselectivity. #autochem https://doi.org/10.26434/chemrxiv-2023-1pm0d

#RobSelects preprint of the week #ChemRxiv: High-throughput virtual screening of iridium pincer complexes catalyzing dehydrogenation of perhydro-N-ethyl carbazole. #compchem https://doi.org/10.26434/chemrxiv-2023-s8pkf