BMC

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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-79

This dataset derived results are published in:

Manuscript title: Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium?Carbene Catalysts

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.1c04424

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M75Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2250.11329544; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M76Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2250.11062974; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M77Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2001.98565845; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M78Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2001.98512090; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M79Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2058.52462618; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M80Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2058.52225682; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M81Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1810.40488505; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M82Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1810.40017613; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M83Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2058.52764434; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M84Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-2058.52461427; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M85Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1810.40487234; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M86Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1810.39830136; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M87Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1921.46409141; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M88Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1921.45982688; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M89Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1673.33738864; Eh
thumbnail.jpeg/SP_PBEPBE_GD3MBJ_CHCl3 M90Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RPBEPBEGENECP-1673.33386306; Eh
thumbnail.jpeg/GeomOpt_wB97XD M75Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RwB97XDGEN-2251.09213378; Eh
thumbnail.jpeg/GeomOpt_wB97XD M76Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RwB97XDGEN-2251.09081734; Eh
thumbnail.jpeg/GeomOpt_wB97XD M77Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RHF; RwB97XDGENECP GEN-2002.8302739; Eh
thumbnail.jpeg/GeomOpt_wB97XD M78Foscato, MarcoGaussian; 16; ES64L-G16RevC.01RwB97XDGEN-2002.83226469; Eh
Collection's Items (Sorted by in order): 1 to 20 of 186
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