#RobSelects paper of the week #J_A_C_S: Catalytic isomerization of cyclic ketones through carbonyl chain-walking. #catalysis https://doi.org/10.1021/jacs.3c05680
#RobSelects #j_a_c_s #catalysis
#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 #ChemRxiv #compchem
#RobSelects paper of the week #J_A_C_S: Evaluating the magnitude of hole upconversion in electron hole-catalyzed Diels-Alder reactions to establish thermodynamic guidelines. #physorg https://doi.org/10.1021/jacs.3c06106
#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 paper of the week #ChemicalScience: Developing and demonstrating a multi-droplet reaction platform with parallel reaction channels for reaction optimization. #autochem https://doi.org/10.1039/D3SC02082G
#RobSelects #chemicalscience #autochem
#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 #ChemRxiv #physchem
#RobSelects paper of the week #J_A_C_S: Comprehensive mechanistic study of a cobalt(II)-catalyzed Suzuki-Miyaura alkyl-aryl cross-coupling. #catalysis https://doi.org/10.1021/jacs.3c02103
#RobSelects #j_a_c_s #catalysis
#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 #ChemRxiv #cheminf
#RobSelects paper of the week #J_A_C_S: Desymmetrizing Pd-catalyzed cross coupling reactions enabled via ionic chiral phosphines. #catalysis https://doi.org/10.1021/jacs.3c04877
#RobSelects #j_a_c_s #catalysis
#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 #ChemRxiv #compchem
#RobSelects paper of the week #angew_chem: Introducing substrate-anion halogen bonding and substrate-catalyst halogen-halogen interactions for anion-binding catalysts effecting high levels of chiral induction. #catalysis https://doi.org/10.1002/anie.202304781
#RobSelects #angew_chem #catalysis
#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 #ChemRxiv #OrgChem
#RobSelects paper of the week #J_A_C_S: Isolating and characterizing a Lewis acidic carbene. #orgchem https://doi.org/10.1021/jacs.3c04933
#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 #ChemRxiv #compchem
#RobSelects paper of the week #ScienceMagazine: Generation of spin-paired solvated dielectrons via UV light irradiation of sodium-doped ammonia clusters, and low-energy electrons through subsequent relaxation. #physchem https://doi.org/10.1126/science.adh0184
#RobSelects #ScienceMagazine #physchem
#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 #ChemRxiv #compchem
#RobSelects paper of the week #J_A_C_S: Influence of vibrational strong coupling on the solvatochromic response of Reichardt's dye in alcoholic solvents. #physorg https://doi.org/10.1021/jacs.3c02260
#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 #ChemRxiv #autochem
#RobSelects paper of the week #ScienceMagazine: Time-resolved x-ray spectroscopic monitoring of the oxidative addition of an alkane C-H bond to an Rh(I) complex. #spectroscopy https://doi.org/10.1126/science.adf8042
#RobSelects #ScienceMagazine #spectroscopy
#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 #ChemRxiv #catalysis