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Theoretical investigation of the isomerisation of merocyanine

Kobayashi, Rika; Amos, Roger

Description

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

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
URI: http://hdl.handle.net/1885/74114
Source: Molecular Physics
DOI: 10.1080/00268976.2013.804958

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