Scale factors for carbonyl vibrational frequencies: A study of partial hessian approximation
© 2018, Chiang Mai University. All rights reserved. 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...
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| Main Authors: | , , |
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| 格式: | Article |
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2019
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| 在線閱讀: | https://repository.li.mahidol.ac.th/handle/123456789/45008 |
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| 機構: | Mahidol University |