The <i>g–tensors</i>, <i>hfc–tensors</i> (A, mT), linewidths (LW, mT), and rotational θ angle (°) for the tyrosyl radical in class Ia and class Ib RNRs and the Y<sub>D</sub> radical in photosystem II, *Inequivalent C<sub>3</sub> and C<sub>5</sub> protons, **Using XSophe (v. 1.1.4) (matrix diagonali
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数据链接:
https://figshare.com/articles/dataset/_The_g_8211_tensors_hfc_8211_tensors_A_mT_linewidths_LW_mT_and_rotational_angle_for_the_tyrosyl_radical_in_class_Ia_and_class_Ib_RNRs_and_the_Y_D_radical_in_photosystem_II_Inequivalent_C_3_and_C_5_protons_Using_XSophe_v_1_1_4_matrix_diagonalization_g_stra/339605数据链接链接失效反馈
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Note: similar results can be obtained with SimFonia software (v. 1.25) using the same g–tensors, hfc–tensors but very different line-width tensor (for the Fe reconstituted form LWx,y,z = 0.560, 0.630, 0.490, Lorentzian/Gaussian line-width = 0.63; for the Mn reconstituted form LWx,y,z = 0.570, 0.795, 0.550. Lorentzian/Gaussian line-width = 1). In B. Cereus, the sign and magnitude of the anisotropic hyperfine tensor components are taken from DFT analyses. The definition of θ is given in Figure 1B. ***The g-tenors for B. anthracis R2F are estimated values from simulations. The values in parenthesis ( ) corresponds to the tyrosyl radical in B. cereus R2F reconstituted with Mn.
创建时间:
2012-03-14



