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Fig. 4.

image

Visualization of Rubi•+’s vibrational normal mode (blue vectors) computed at 1074 cm−1 (scaled value), which corresponds to the 1087 cm−1 mode in the IRMPD spectrum. The two types of “harbors” are indicated with red roman numerals. See Sects. 4.2 and 4.3 for details.

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