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arXiv · 0911.5381

Trapping of Noble Gases (He-Kr) by the Aromatic H3+ and Li3+ Species: A Conceptual DFT Approach

Arindam Chakraborty·Santanab Giri·Pratim Kumar Chattaraj
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Abstract

Stability, reactivity and aromaticity of clusters of various noble gas atoms trapped in aromatic H3+ and Li3+ rings are studied at the B3LYP/6-311+G(d) and MP2/6-311+G(d) levels of theory. Electrophilicity, gain in energy and nucleus independent chemical shift values lend additional insights into the overall behavior of these clusters.

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Arindam Chakraborty, Santanab Giri, Pratim Kumar Chattaraj. 2009-11-28. Trapping of Noble Gases (He-Kr) by the Aromatic H3+ and Li3+ Species: A Conceptual DFT Approach. https://arxiv.org/abs/0911.5381

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