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First-principles calculations steered multi-task transformer model to screen dual-atom catalysts for C-H activation. [PDF]
Wang B +6 more
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Understanding the formation mechanism and structural aspects of anti-cancer drug platinum uracil blue by quantum chemical studies. [PDF]
Ghatak A, Banerjee S.
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Theoretical study on the generation of Criegee intermediates from the ozonolysis of trifluoropropene (CF<sub>3</sub>CH[double bond, length as m-dash]CH<sub>2</sub>). [PDF]
Zhang Y, Zhao M, Yao C, Wang Z, Sun Y.
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Catalytic Enantioselective [6π] Photocyclization Reactions by Chromophore Activation with a Chiral Lewis Acid. [PDF]
Grünwald D +5 more
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Snapshots of Cooperative Trimetallic Alkene Hydrogenation. [PDF]
Kalkuhl TL, Fernández I, Hadlington TJ.
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Mechanistic insights into the selective oxidation of D-arginine by the nonheme iron-dependent viomycin biosynthesis enzyme VioC. [PDF]
Zhao C, Su Y, Li Q, Shi Y, Lai W.
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Advances in Catalysts for Magnesium-Based Hydrogen Storage Materials. [PDF]
Zhu Y +6 more
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