Investigation of ethene-bisfullerenes and their derivatives as photovoltaic system [C28X1=X2C28]: Semiempirical study

A computational study of C28X1=X2C28 complexes using semiempirical methods (AM1 and PM3) was presented. The difference between the most stable and the least stable was about 50 Kcal/ mol for PM3 and 30 Kcal/mol for AM1. The study of the frontier orbitals in the ground state revealed that the LUMO en...

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Veröffentlicht in:	Oriental journal of chemistry 2009-01, Vol.25 (3), p.505
Hauptverfasser:	Semire, B, Odunola, O A
Format:	Artikel
Sprache:	eng
Schlagworte:	Cages Energy levels Ethene Germanium Molecular orbitals Silicon
Online-Zugang:	Volltext
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