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note
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The calculated vibrational frequencies are provided by one of reviewers. The vibrational frequencies are calculated using HF/6-31G* method. For a better comparison with experiment, the calculated frequencies are multiplied by an empirical factor of 0.9. This scaling factor accounts for systematic errors caused by basis set incompleteness, neglect of electron correlation and vibrational anharmonicity.
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28
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33749095601
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note
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-1) are taken from ref. 3.
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29
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0001912736
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Sathyamurthy, N.4
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32
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33749096649
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note
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-1. However, such an error is unlikely to influence our discussion, which is qualitative in nature.
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