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On the structure of the Au18(SR)14 cluster

First principles calculations are used for a systematic search of the lowest-energy (most-stable) structure of the recently synthesized Au18(SR)14 cluster. A comparison of the calculated optical absorption and electronic circular dichroism spectra, which are highly sensitive to the cluster structure...

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Bibliographic Details
Main Authors:	Tlahuice Flores, Alfredo, Garzón, Ignacio L.
Format:	Article
Language:	English
Published:	Royal Society of Chemistry 2012
Subjects:	QC Física
Online Access:	http://eprints.uanl.mx/11509/1/C2CP24016E.pdf

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