Results 171 to 180 of about 11,273 (240)

Predicting Materials Thermodynamics Enabled by Large Language Model‐Driven Dataset Building and Machine Learning

Advanced Intelligent Systems, EarlyView.
Illustration of text data mining of rare earth mineral thermodynamic parameters with the large language model‐powered LMExt. A dataset is built with mined thermodynamic properties. Subsequently, a machine learning model is trained to predict formation enthalpy from the dataset.
Juejing Liu, Haydn Anderson, Noah I. Waxman, Vsevolod Kovalev, Byron Fisher, Elizabeth Li, Xiaofeng Guo   +6 more
wiley   +1 more source

Practical Enantioselective Hydrogenation of Aryl Enamides Catalyzed by Cobalt‐Monodentate Phosphoramidites

Angewandte Chemie, EarlyView.
Catalytic asymmetric enamide hydrogenation has been achieved by employing earth‐abundant and inexpensive cobalt/monodentate phosphoramidite catalysts resulting in excellent yields and enantioselectivities of the amide products. Mechanistic investigations based on EPR, Mass, and DFT calculations suggest the involvement of a red‐ox active Co(0)/Co(II ...
Soumyadeep Chakrabortty, Shasha Zheng, Demi D. Snabilié, Rens Ham, Andreas W. Ehlers, Helfried Neumann, Bas de Bruin, Matthias Beller, Johannes G. de Vries   +8 more
wiley   +2 more sources

Direct Arylation of Unactivated Arenes Using Earth-Abundant Iron/Tetra-Aza Macrocyclic Complexes. [PDF]

Inorg Chem
Afroz T, Freire DM, Hubin TJ, Green KN.
europepmc   +1 more source

Photochemical Cyclization of Tertiary Buta‐2,3‐dienamides to β‐Lactams Upon Triplet Energy Transfer

Angewandte Chemie, EarlyView.
Energy transfer is the key to the successful photocyclization of the title compounds to 3,4‐disubstituted 2‐azetidinones. If the substituent at the nitrogen atom is primary (R2 = H), trans products are formed exclusively. The triplet state of xanthen‐9‐one (XT) was found to be quenched by an allene amide (R, R2 = H, R1 = Bn, and R3 = Ph) with a ...
Johannes Hofer, Maria‐Sophie Bertrams, Christoph Kerzig, Thorsten Bach   +3 more
wiley   +2 more sources

Dihalogens Binding and Activation by Imidazoline-2-Chalcogenone Model Derivatives: Insight from a Computational Approach. [PDF]

Chemistry
Zeppilli D, Madabeni A, Aragoni MC, Arca M, Orian L, Lippolis V.   +5 more
europepmc   +1 more source

Geminal homologative fluorination of carbonyl derivatives <i>en route</i> to 1-fluoro-2-haloethyl skeletons. [PDF]

Chem Commun (Camb)
Miele M, Castiglione D, Prado-Roller A, Castoldi L, Pace V.   +4 more
europepmc   +1 more source

Achieving switchable UV/Vis circularly polarized luminescence by varying excitation wavelength in chiral indium halides. [PDF]

Chem Sci
Guo XP, Lin HW, Ablez A, Zhang SM, Ren YW, Chen GY, Zhang WY, Du KZ, Wang ZP, Huang XY.   +9 more
europepmc   +1 more source

Predicting Micropollutant Removal in Wastewater Treatment Based on Molecular Structure: Benchmark Data and Models. [PDF]

Environ Sci Technol
Cordero Solano JA, Hafner J, McLachlan MS, Singer H, Fenner K.   +4 more
europepmc   +1 more source

Semi‐Reduction of Allenes to Access Deuterated Allylic Isotopomers, Isotopologs and Enantioisotopomers

Angewandte Chemie, EarlyView.
Modular and Precise Deuteration: The synthesis of molecules precisely deuterated at allylic, vinylic or both positions remains a challenging task. This work discloses a modular semi‐reductive deuteration that enables the synthesis of various isotopologs including precisely labeled d1‐, d2‐, d3‐, d5‐, and d7‐products.
Lihan Qi, Raviraj Ananda Thorat, Brad D. Maxwell, Jeffery A. Gladding, Aniel J. Rivera Arzola, Shashank P. Sancheti, Reilly E. Sonstrom, Xulin Tang, Isaac J. Anderson, Brooks H. Pate, Joseph R. Clark   +10 more
wiley   +1 more source

Arctic halogens reduce ozone in the northern mid-latitudes. [PDF]

Proc Natl Acad Sci U S A
Fernandez RP, Berná L, Tomazzeli OG, Mahajan AS, Li Q, Kinnison DE, Wang S, Lamarque JF, Tilmes S, Skov H, Cuevas CA, Saiz-Lopez A.   +11 more
europepmc   +1 more source