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. Author manuscript; available in PMC: 2020 Jan 23.
Published in final edited form as: Phys Chem Chem Phys. 2019 Jan 23;21(4):2166–2176. doi: 10.1039/c8cp06819d

Fig. 2.

Fig. 2.

Structure of bTbK (a) and modified bTurea with a PEG chain(b), obtained via DFT. The g-tensors and dipolar coupling are represented schematically, (the axis length is proportional to the principal axis frame tensor value). In blue and yellow, the g-tensor of electron spin a and b, respectively. The colour coding for the atoms is: black corresponds to carbon (C), red to oxygen (O), blue to nitrogen (N), and grey to hydrogen (H)). The structures have been generated with a home-written Matlab code.