Homogeneous_Reforming_of_Aqueous_Ethylene_Glycol

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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-6-66

This dataset derived results are published in:

Manuscript title: Homogeneous Reforming of Aqueous Ethylene Glycol to Glycolic Acid and Pure Hydrogen Catalyzed by Pincer‐Ruthenium Complexes Capable of Metal‐Ligand Cooperation

DOI: 10.1002/chem.202005450

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg17von Wolff, NiklasOrca; 4.2.1; RELEASERKSdef2-TZVPP; def2-tzvpp/c-1518.50483480; Eh
thumbnail.jpeg18von Wolff, NiklasOrca; 4.2.1; RELEASERKSdef2-TZVPP; def2-tzvpp/c-1405.35304986; Eh
thumbnail.jpegTS4BBnvon Wolff, NiklasOrca; 4.2.1; RELEASERKSdef2-TZVPP; def2-tzvpp/c-1822.84834731; Eh
thumbnail.jpegTS4BEt2von Wolff, NiklasOrca; 4.2.1; RELEASERKSdef2-TZVPP; def2-tzvpp/c-1709.68674492; Eh
thumbnail.jpeg17von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP DEF2TZVP/W06-1518.97020041; Eh
thumbnail.jpeg18von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP DEF2TZVP/W06-1405.82146168; Eh
thumbnail.jpegTS4BBnvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP DEF2TZVP/W06-1823.35744249; Eh
thumbnail.jpegTS4BEt2von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP DEF2TZVP/W06-1710.19882199; Eh
/_Energies Energiesvon Wolff, Niklas------
thumbnail.jpeg/Gaussian 3avon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian 3bvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS2Bvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4Dvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4CbpyEXPvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4Cbpyvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4Cvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4BEXPvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4BbpyEXPvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4Bbpyvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.01RM06LDEF2TZVP/W06-
thumbnail.jpeg/Gaussian TS4Bvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01RM06LDEF2TZVP/W06-
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