ICAR Research Data Repository for Knowledge Management
G16 outputs – Optimally Tuned LC-PBE
Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)
View Archive Info| Field | Value | |
| Title |
G16 outputs – Optimally Tuned LC-PBE
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| Identifier |
https://doi.org/10.7910/DVN/9DFORL
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| Creator |
Morgante, Pierpaolo
Ludowieg, Herbert D. Autschbach, Jochen |
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| Publisher |
Harvard Dataverse
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| Description |
Output files from the Gaussian 16 (G16) program for the VROA calculations using the optimally tuned LC-PBE functional and the aug-cc-pVDZ basis set.
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| Subject |
Chemistry
Computer and Information Science |
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| Contributor |
Morgante, Pierpaolo
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