Quantum Chemical Study of Interaction between Titanocene Dichloride Anticancer Drug and Al12N12 Nano-Cluster

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作者
Reza Mozhdeh Shabani
Karim Ghiasi
Reza Zare
机构
[1] Department of Chemistry,
[2] Science and Research Branch,undefined
[3] Islamic Azad University,undefined
[4] Department of Chemistry,undefined
[5] Faculty of Science,undefined
[6] East Tehran Branch,undefined
[7] Islamic Azad University,undefined
[8] Department of Chemistry,undefined
[9] Faculty of Science,undefined
[10] South Tehran Branch,undefined
[11] Islamic Azad University,undefined
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关键词
Al; N; cage; titanocene dichloride; energy decomposition analysis (EDA); Shubin Liu’s energy decomposition analysis (EDA-SBL); electrophilicity-based charge transfer (ECT);
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页码:1726 / 1734
页数:8
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