遇见数据集

zfekete2/10.1080-00268970701598089: v0.92-beta

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Zenodo2015-10-15 更新2026-04-07 收录
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Supplementary material for DOI:10.1080/00268970701598089 Fekete ZA, Hoffmann EA, Körtvélyesi T, Penke B. Harmonic vibrational frequency scaling factors for the new NDDO Hamiltonians: RM1 and PM6. Molecular Physics. 2007 Oct 10;105(19-22):2597-605. https://scholar.google.com/scholar?hl=en&as_sdt=0%2C5&q=%22Harmonic+vibrational+frequency+scaling+factors+for+the+new+NDDO+Hamiltonians%3A+RM1+and+PM6.%22&btnG= This release has minor corrections to F922_2007-ExpVib.sdf

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2015-10-15
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