Nucleophilicity/Electrophilicity Excess in Analyzing Molecular Electronics

D. R. Roy; V. Subramanian; P. K. Chattaraj

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arXiv · cond-mat/0511441

Nucleophilicity/Electrophilicity Excess in Analyzing Molecular Electronics

D. R. Roy·V. Subramanian·P. K. Chattaraj

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Abstract

Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important inputs towards the fabrication of the material required for molecular electronics.

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D. R. Roy, V. Subramanian, P. K. Chattaraj. 2005-11-17. Nucleophilicity/Electrophilicity Excess in Analyzing Molecular Electronics. https://arxiv.org/abs/cond-mat/0511441

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