Results 121 to 130 of about 30,941 (214)

The agentic age of predictive chemical kinetics. [PDF]

Chem Sci
Grinberg Dana A.
europepmc   +1 more source

Mechanistic Evaluation of Radical Scavenging Pathways in Ginger Phenolics: A DFT Study of 6-Gingerol, 6-Shogaol, and 6-Paradol. [PDF]

Int J Mol Sci
Lgaz H, Messali M, Lee HS.
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Cryogenic Ion Kinetics and Thermodynamics in a Temperature-Controlled, Radiofrequency Ion Trap: A Case Study of the "Tag Isomers" Adopted by the Py-CH₂-COOH⁺·D₂ Cation. [PDF]

J Phys Chem Lett
Harville PA, Bocanegra EL, Salik M, Johnson MA.   +3 more
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Antioxidants: The Chemical Complexity Behind a Simple Word. [PDF]

Acc Chem Res
Galano A.
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Insights into Hypermetallic Molecules En Route to Multiple Optical Cycling Centers: Thermodynamic and Spectroscopic Trends in Mg and Ca Bearing Acetylides. [PDF]

J Phys Chem A
Brudner E, Gur T, Genossar-Dan N, Changala PB, McCarthy MC, Stanton JF, Baraban JH.   +6 more
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ChemGraph as an agentic framework for computational chemistry workflows. [PDF]

Commun Chem
Pham TD, Tanikanti A, Keçeli M.
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Modified Opposite-Spin-Scaled Double-Hybrid Functionals. [PDF]

J Phys Chem A
Santra G, Bursch M, Wittmann L.
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Stepwise 6H⁺/6e^- Electron-Coupled Proton Buffers Based on Fe and Redox-Active Ligands. [PDF]

Inorg Chem
Sarma R, Wu T, Ye D, Qiu YL, Park S, Cohen E, Xiong J, Siegler MA, Guo Y, Garcia-Bosch I.   +9 more
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Electrochemically Determined and Structurally Justified Thermochemistry of H atom Transfer on Ti-Oxo Nodes of the Colloidal Metal-Organic Framework Ti-MIL-125. [PDF]

J Am Chem Soc
Altınçekiç NG, Lander CW, Roslend A, Yu J, Shao Y, Noh H.   +5 more
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