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A Density Functional Theory Investigation on the Properties of Supramolecular Catalysts for Photoinitiated Electron Collection

Xiaofeng Duan, Ruth Pachter, Karen J. Brewer, Barry L. Farmer. A Density Functional Theory Investigation on the Properties of Supramolecular Catalysts for Photoinitiated Electron Collection. In Vassil N. Alexandrov, Michael Lees, Valeria V. Krzhizhanovskaya, Jack Dongarra, Peter M. A. Sloot, editors, Proceedings of the International Conference on Computational Science, ICCS 2013, Barcelona, Spain, 5-7 June, 2013. Volume 18 of Procedia Computer Science, pages 779-786, Elsevier, 2013. [doi]

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