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Theoretical and experimental study on the excited states of the X-, α- and β-forms of lithium phthalocyanine

✍ Scribed by Michinori Sumimoto; Daisuke Yokogawa; Yukio Kawashima; Kenji Hori; Hitoshi Fujimoto


Book ID
113880924
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
993 KB
Volume
91
Category
Article
ISSN
1386-1425

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✍ Michinori Sumimoto; Yukio Kawashima; Daisuke Yokogawa; Kenji Hori; Hitoshi Fujim 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 963 KB

## Abstract We report here the results from theoretical calculations of the potential energy curves, the geometry optimizations, and the electronic structures for three dimers of lithium phthalocyanine (LiPc) by using three types of functional systems: PBE1PBE, B3LYP, and M06. The results were disc