Electron transfer through organic molecular wires: A theoretical study

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• 作者：Nektarios N. Lathiotakis ; Giannoula Theodorakopoulos ; Ioannis D. Petsalakis ; ^idpet@eie.gr
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：667
• 期：Complete
• 页码：45-50
• 全文大小：1064 K
• 卷排序：667

文摘

DFT and TDDFT calculations on Donor-Bridge-Acceptor systems. π-conjugated bridges act as molecular wires resulting in smaller effective D-A distances. A modified Mulliken’s equation is required for DBA with π-conjugated bridges.