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Molecular modeling investigation of adsorption of Zolinza drug on surfaces of the B12N12 and Al12N12 nanocages |
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| Authors: | Sheikhi Masoome Ahmadi Yavar Kaviani Sadegh Shahab Siyamak |
| Institution: | 1.Young Researchers and Elite Club, Gorgan Branch, Islamic Azad University, Gorgan, Iran ;2.Department of Basic Sciences, Farhangian University, Tehran, Iran ;3.Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran ;4.Belarusian State University, ISEI BSU, Minsk, Republic of Belarus ;5.Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13 Surganov Str., 220072, Minsk, Republic of Belarus ;6.Institute of Chemistry of New Materials, National Academy of Sciences of Belarus, 36 Skarina Str., 220141, Minsk, Republic of Belarus ; |
| Abstract: | Structural Chemistry - In the current work, the adsorption of Zolinza (ZOL) drug on B12N12 and Al12N12 nanocages was investigated using density functional theory (DFT) and time-dependent DFT... |
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