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Influence of non-metallic atoms on the absorption of amphetamines on B12N12 nano-cages |
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| Authors: | Sabzehzari Mozhgan Ajamgard Marzieh Shamlouei Hamid Reza |
| Institution: | 1.Department of Chemistry, School of Basic Science, Jundi-Shapur University of Technology, Dezful, Iran ;2.Molecular Simulation Laboratory (MSL), Azarbaijan Shahid Madani University, Tabriz, Iran ;3.Physical Chemistry Group, Chemistry Department, Lorestan University, Khorram Abad, Iran ; |
| Abstract: | Structural Chemistry - Density functional theory (DFT) calculations at B3LYP/6-31+G(d) level were employed to investigate the influence of the non-metal encapsulation of the second row of the... |
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