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Packing Structures of Thiophene Dimers and Their Effects on Excitation Energies of Thiophene Dimers1

✍ Scribed by LI, L; WEI, Y; LIU, J; YANG, L; ZHANG, G


Book ID
122345500
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
521 KB
Volume
22
Category
Article
ISSN
1005-9040

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Ab initio calculations on Ο€-stacked thio
✍ Francisco RodrΓ­guez-Ropero; Jordi Casanovas; Carlos AlemΓ‘n πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 418 KB

## Abstract π‐Stacked complexes formed by two, three, and four thiophene rings have been investigated using __abinitio__ quantum mechanical calculations. The relative orientation between the rings was investigated for each complex by exploring the corresponding potential energy surface at the MP2/6