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A curve-crossing model to rationalize and optimize diarylethene dyads

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Academic year: 2021

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Fig. 4 Comparison between the formation of (o-A) – X – (o-B) from (c-A) *– X – (o-B) through a single crossing (grey square) and the formation of (c-A) – X – (c-B) from (c-A) – X – (o-B) * through a sequence of two crossings (black circle and grey square)
Table 1 Energy parameters (in eV), position of the extra crossing (dimensionless) and tilt criterion (in eV) for various symmetric DAE dyads B – X – B
Fig. 6 Ethynyl-linked dimers considered. Only the relevant closed- closed-open form is shown.

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