The geometries of the lowest-lying isomers of small AuTe2 cluster are determined through the MP2 method. The aspect of gold-telluride and telluride-telluride interaction, the electron correlation and relativistic effects on geometry and stability were investigated at the different theoretical levels of electron correlation. The results show that the electron correlation and relativistic effects are responsible not only for telluride-telluride attraction but also for additional gold-telluride interaction. Both effects are essential for determining the geometry and relative stability of coin age metal telluride compound AuTe2 cluster.
JavaScript jest wyłączony w Twojej przeglądarce internetowej. Włącz go, a następnie odśwież stronę, aby móc w pełni z niej korzystać.