Geometrical parameters and non covalent binding energies (ncBE) of the complexes between ToMO or E103G/F176A-ToMO and the arenium intermediates for the phthalan/1,3-dihydro-4-hydroxyisobenzofuran (4PT), the phthalan/1,3-dihydro-5-hydroxyisobenzofuran (5PT), the 2-indanol/2,4-dihydroxyindan (24I) and the 2-indanol/2,5-dihydroxyindan (25I) reactions.
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https://figshare.com/articles/dataset/_Geometrical_parameters_and_non_covalent_binding_energies_ncBE_of_the_complexes_between_ToMO_or_E103G_F176A_ToMO_and_the_arenium_intermediates_for_the_phthalan_1_3_dihydro_4_hydroxyisobenzofuran_4PT_the_phthalan_1_3_dihydro_5_hydroxyisobenzofuran_5PT_the_/1395347
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资源简介：
a not determined.
b in the case of phenylethanol we previously found C4-C4 distances of 0.3 and 0.23 Å for the para- and meta-hydroxylation, respectively.
c in the case of phenylethanol we previously found Δθ values of +41° and +22° for the para- and meta-hydroxylation, respectively.
Geometrical parameters and non covalent binding energies (ncBE) of the complexes between ToMO or E103G/F176A-ToMO and the arenium intermediates for the phthalan/1,3-dihydro-4-hydroxyisobenzofuran (4PT), the phthalan/1,3-dihydro-5-hydroxyisobenzofuran (5PT), the 2-indanol/2,4-dihydroxyindan (24I) and the 2-indanol/2,5-dihydroxyindan (25I) reactions.
创建时间：
2015-12-03
