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FractionalCharge Behavior and Band Gap Predictions with the XYG3 Type of DoublyHybrid Density Functionals.
- Source :
- Journal of Physical Chemistry A; Oct2014, Vol. 118 Issue 39, p9201-9211, 11p
- Publication Year :
- 2014
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 118
- Issue :
- 39
- Database :
- Supplemental Index
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- 108582198
- Full Text :
- https://doi.org/10.1021/jp5029992