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. 2020 Feb 12;8:65. doi: 10.3389/fchem.2020.00065

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Copyright © 2020 Pei, Li, Laaksonen and Wang.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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HOMO (lower panels) and LUMO (upper panels) contours for the optimized K[BMB] ion-pair structures with anions of varied molecular chiralities. These orbital isosurfaces were drawn with a contour value of 0.02. The purple and green isosurfaces of HOMO and LUMO indicate negative and positive values, respectively. The hydrogen, boron, carbon, and oxygen atoms in [BMB] anions are represented by white, yellow, cyan, and red spheres, respectively, and K⁺ ions are represented by blue spheres. (A) B(R)-Man(RR), (B) B(R)-Man(RS), (C) B(R)-Man(SS), (D) B(S)-Man(RR), (E) B(S)-Man(SR), and (F) B(S)-Man(SS).