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Dark conductivity in the x and alpha polymorphs of lithium phthalocyanine

✍ Scribed by M Brinkmann; C Chaumont; J.-J André

Book ID
108389346
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
302 KB
Volume
324
Category
Article
ISSN
0040-6090

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Theoretical study on the molecular struc
Theoretical study on the molecular structures of X-, α-, and β-types of lithium phthalocyanine dimer
✍ 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