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Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time‐Dependent Density Functional Theory
Author(s) -
Kulesza Alexander Jan,
Titov Evgenii,
Daly Steven,
Włodarczyk Radosław,
Megow Jörg,
Saalfrank Peter,
Choi Chang Min,
MacAleese Luke,
Antoine Rodolphe,
Dugourd Philippe
Publication year - 2016
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201601021
Subject(s) - chemistry , time dependent density functional theory , density functional theory , excited state , computational chemistry , matrix (chemical analysis) , nanosecond , laser , atomic physics , physics , optics , chromatography
The front cover artwork is provided by the SpectroBio group at the Institut Lumière Matière in Lyon. The image shows the composition of our experimental–theoretical work: a photo of our nanosecond laser setup in the background with the laser‐pulse dependent photofragmentation spectra is the central element. Further elements are the Jacobian matrix for calculating CC2 transition energies, a natural transition orbital, and the energy levels and processes used for constructing the photofragmentation model. Read the full text of the article at 10.1002/cphc.201600650.