Justification on cyclopropene to propyne isomerization pathway based on vibrational calculations
We report a density-functional coupled with vibrational calculation on justifying the isomerization pathway of cyclopropene to propyne. The idea is to present the pathway in energy level diagram which the transition state is ensured by tracking a particular mode that supports the cyclic bond breakin...
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| Main Authors: | , , , , , |
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| Format: | Article PeerReviewed |
| Language: | English English English |
| Published: |
IOP Publishing
2019
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| Subjects: | |
| Online Access: | https://repository.unair.ac.id/125966/1/C59.%20Fulltext_.pdf https://repository.unair.ac.id/125966/2/C59.%20Penilaian%20dan%20Validasi.pdf https://repository.unair.ac.id/125966/5/C55.%20Similarity.pdf https://repository.unair.ac.id/125966/ https://iopscience.iop.org/article/10.1088/1742-6596/1568/1/012001/meta |
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| Institution: | Universitas Airlangga |
| Language: | English English English |