Theoretical investigation of the isomerisation of merocyanine
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Kobayashi, Rika
Amos, Roger
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Taylor & Francis Group
Abstract
The isomerisation of two isomers of merocyanine, is examined using time-dependent density functional theory with modern functionals. Using an implementation of the branch plane updating algorithm of Maeda et al., a conical intersection which connects the
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Source
Molecular Physics
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Restricted until
2037-12-31