Theoretical investigation of the structural and electronic properties of molecular machine based on phenylene and trityl
The electronic, spectral and structural properties of a molecular machine composed of a phenylene rotator encased by two trityl stators and two acetylides as axis are investigated theoretically to evaluate the rotational dynamics by DFT method. The changes in these properties and intramolecular rota...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-07-01
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| Series: | South African Journal of Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S102691852100038X |