Paper

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-153

This dataset derived results are published in:

Manuscript title: Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes

Journal: ACS Catal.

DOI: 10.1021/acscatal.0c00006

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegXIX_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-2982.3123692; Eh
thumbnail.jpegXIXGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-2981.43050586; Eh
thumbnail.jpegTSVII_VIII_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-3061.1927065; Eh
thumbnail.jpegTSVII_VIIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.28845798; Eh
thumbnail.jpegTScisVI_VII_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-3061.1834449; Eh
thumbnail.jpegTScisVI_VIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.27969006; Eh
thumbnail.jpegXIV_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-3061.2353749; Eh
thumbnail.jpegXIVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.33694360; Eh
thumbnail.jpegVIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.28018714; Eh
thumbnail.jpegVI_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-3061.1838732; Eh
thumbnail.jpegcis_6García, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31G(D,P) GENECP-657.463720412; Eh
thumbnail.jpegcis_6_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-657.6206973; Eh
thumbnail.jpegTSXII_XIV_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-3061.1789993; Eh
thumbnail.jpegTSXII_XIVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.27408989; Eh
thumbnail.jpegTSXII_XV_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-3061.1764996; Eh
thumbnail.jpegTSXII_XVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.26941200; Eh
thumbnail.jpegII_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-3022.8816734; Eh
thumbnail.jpegIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.99506948; Eh
thumbnail.jpegTScisXVIII_XIX_sp_basissetGarcía, CristinaGaussian; 09RB3LYPGENECP-2982.3062292; Eh
thumbnail.jpegTScisXVIII_XIXGarcía, CristinaGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ 6-31G(D,P) GENECP-2981.42369636; Eh
Collection's Items (Sorted by in order): 1 to 20 of 116
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