Theoretical description of electromagnetic nonbonded interactions of radical, cationic, and anionic NH<inf>2</inf>BHNBHNH<inf>2</inf> inside of the B<inf>18</inf>N<inf>18</inf> nanoring
The electromagnetic nonbounded interactions of the NH 2 BHNBHNH 2 molecule inside of the B 18 N 18 ring have been investigated with hybrid density functional theory (B3LYP) using the EPR-III and EPR-II basis sets for a physicochemical explanation of electromagnetic nonbounded interactions within...
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| Main Authors: | , , , , |
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| 格式: | 雜誌 |
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2017
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| 在線閱讀: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77956527178&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/43231 |
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