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Uncertainty Quantification in First-Principles Predictions of Harmonic Vibrational Frequencies of Molecules and Molecular Complexes.
- Source :
- Journal of Physical Chemistry C; 2/21/2019, Vol. 123 Issue 7, p4072-4084, 13p
- Publication Year :
- 2019
Details
- Language :
- English
- ISSN :
- 19327447
- Volume :
- 123
- Issue :
- 7
- Database :
- Supplemental Index
- Journal :
- Journal of Physical Chemistry C
- Publication Type :
- Academic Journal
- Accession number :
- 144969260
- Full Text :
- https://doi.org/10.1021/acs.jpcc.8b11689