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A theoretical study of conformational aspects and energy transfer between terthiophene and quinquethiophene in perhydrotriphenylene inclusion compounds

✍ Scribed by Vásquez, Sergio O.


Book ID
120269515
Publisher
Royal Society of Chemistry
Year
2008
Tongue
English
Weight
338 KB
Volume
10
Category
Article
ISSN
1463-9076

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Theoretical study of conformational aspe
✍ Sergio O. Vásquez; Carmen Gaete-Acuña 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 398 KB

The limited one-dimensional space of nanochannels of the supramolecular Perhydrotriphenylene (PHTP) matrix host induce changes on the structure of included molecules that affect some of their properties. A combination of Density Functional Theory and semi-empirical methodologies is used to study the