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. 2012 Nov 25;41(2):995–1004. doi: 10.1093/nar/gks1148

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© The Author(s) 2012. Published by Oxford University Press.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by-nc/3.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com.

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Figure 4. — The results of experimental and calculated in-plane polarized EDTMs of 6-MI are shown. Grey hourglass regions indicate the range of EDTM orientations corresponding to the experimental limits for (indicated by upper and lower small dots in Figure 3). The green (RICC2), dark blue (ωB97) and light blue (B3LYP) arrows indicate the EDTMs obtained from calculations. (A) Transition 1; (B) Transition 2; (C) Transition 6.

Inline graphic — The results of experimental and calculated in-plane polarized EDTMs of 6-MI are shown. Grey hourglass regions indicate the range of EDTM orientations corresponding to the experimental limits for (indicated by upper and lower small dots in Figure 3). The green (RICC2), dark blue (ωB97) and light blue (B3LYP) arrows indicate the EDTMs obtained from calculations. (A) Transition 1; (B) Transition 2; (C) Transition 6.