Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 18(24), p. 10826-10837, 2022
DOI: 10.1039/d2cp00929c
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Accounting for molecular flexibility in photoionization: case of tert-butyl hydroperoxide
Journal article published in 2022 by
Jérémy Bourgalais 
,
Zhongming Jiang ,
Julien Bloino ,
Olivier Herbinet ,
Hans-Heinrich Carstensen ,
Gustavo A. Garcia ,
Philippe Arnoux,
Luc-Sy Tran,
Guillaume Vanhove ,
Laurent Nahon ,
Frédérique Battin-Leclerc ,
Majdi Hochlaf
,
Zhongming Jiang ,
Julien Bloino ,
Olivier Herbinet ,
Hans-Heinrich Carstensen ,
Gustavo A. Garcia ,
Philippe Arnoux,
Luc-Sy Tran,
Guillaume Vanhove ,
Laurent Nahon ,
Frédérique Battin-Leclerc ,
Majdi Hochlaf
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Abstract
We use synchrotron-based VUV single photon ionization and advanced theoretical simulations to unravelling the dissociative ionization of tert-butyl hydroperoxide where special treatment is undertaken because of the flexibility of this molecule.