1. Institute of Chemical Research of Catalonia

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Collection hits:
Collection Name
ACS_Catalysis_10_1021_acscatal_0c02514
A Domino Process towards Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative Csp3-Csp3 Bond Formation
Alcane_Activation_by_AgTpx-CR1R2
Allene Functionalization
AuOxAd
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Feb-2026ts8Li, YingziGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-2648.74596456; Eh
thumbnail.jpeg5-Feb-2026ts5Li, YingziGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-2648.75801932; Eh
thumbnail.jpeg5-Feb-2026ts6Li, YingziGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-2648.73225495; Eh
thumbnail.jpeg5-Feb-2026ts7Li, YingziGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-2648.75595502; Eh
thumbnail.jpeg12-Mar-2026TS2eLi, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-6627.6233875; Eh
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