Scale Factors for Carbonyl Vibrational Frequencies: A Study of Partial Hessian Approximation
This study investigated the use of partial Hessian approximation and bulky ligand replacement on the carbonyl stretching frequency of transition metal carbonyl complexes. Ligand replacement speeds up the frequency calculation, but also affects the vibrational frequency, due to the difference in ele...
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| Main Authors: | , , |
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| 格式: | บทความวารสาร |
| 語言: | English |
| 出版: |
Science Faculty of Chiang Mai University
2019
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| 在線閱讀: | http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=9670 http://cmuir.cmu.ac.th/jspui/handle/6653943832/64243 |
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| 機構: | Chiang Mai University |
| 語言: | English |