Molecular and electronic properties of HIV-1 protease inhibitor C<inf>60</inf>derivatives as studied by the ONIOM method
Quantum chemical methods were performed to study the structure and electronic properties of a series of C60derivatives. The integrated, ONIOM molecular orbital method was applied to optimize the structure of all compounds while the DFT/B3LYP 6-31G(d) calculations were performed to examine molecular...
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| Main Authors: | , , , , |
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| 格式: | 雜誌 |
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2018
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| 在線閱讀: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=13944283878&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/62114 |
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| 機構: | Chiang Mai University |