Published October 15, 2015
| Version v0.92-beta
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zfekete2/10.1080-00268970701598089: v0.92-beta
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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.
This release has minor corrections to F922_2007-ExpVib.sdf
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zfekete2/10.1080-00268970701598089-v0.92-beta.zip
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- https://github.com/zfekete2/10.1080-00268970701598089/tree/v0.92-beta (URL)
References
- 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.