Geometry Optimization and Excited States of Tris(2,2?-bipyridine)ruthenium(ll) Using Density Functional Theorya

During the last two decades, many investigations have been performed on molecules belonging to the family of tris(2,2?-bipyridine)ruthenium(II). In this work, a theoretical approach of the [Ru(bpy)3]2+ complex using Density Functional Theory and in particular the Amsterdam Density Function...

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Hlavní autoři: Matthieu Buchs, Claude Daul
Médium: Článek
Jazyk:deu
Vydáno: Swiss Chemical Society 1998-04-01
Edice:CHIMIA
On-line přístup:https://www.chimia.ch/chimia/article/view/2984