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7,971 to 7,980 of 11,083 Results
01_Readmefile.txt
Jun 23, 2020 - Replication data for: One leaf for all: Chemical traits of single leaves measured at the leaf surface using near-infrared reflectance spectroscopy
Plain Text - 708 B - MD5: 16b7692d4626001a06253d600dff7fe4
Dataset.txt
Jun 23, 2020 - Replication data for: One leaf for all: Chemical traits of single leaves measured at the leaf surface using near-infrared reflectance spectroscopy
Plain Text - 920.5 KB - MD5: 4872d68f7acbb81f69160f292d7656cd
Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jun 17, 2020
Brakestad, Anders; Jensen, Stig Rune; Wind, Peter; D'Alessandro, Marco; Genovese, Luigi; Hopmann, Kathrin Helen; Frediani, Luca, 2020, "Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species", https://doi.org/10.18710/KLQVOK, DataverseNO, V4, UNF:6:pBXeXp0l5KVVijVHeSqsdg== [fileUNF]
Introduction This Dataverse entry contains replication data for our journal article “Static polarizabilities at the basis set limit: A benchmark of 124 species” published in Journal of Chemical Theory and Computation. It contains highly precise static polarizabilities computed in...
000_README.txt
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Plain Text - 4.0 KB - MD5: 46d266e479637c773c585ee6843d39b7
correlation.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 52.3 KB - MD5: 26d1a22021cc9ecaf57c9fb590e61fb6
Jupyter Notebook for generating Figure 5 in journal article.
cputime_vs_nel.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 302.0 KB - MD5: 8b4a382159b7a6712f6d598ea123b0f9
Jupyter Notebook for generating Figure S5 in journal article.
dipole_mapping.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 178.0 KB - MD5: 313dc62fd476c3e4bc97baf0ee624cc9
Jupyter Notebook for generating Figure S3 in journal article.
dipole_mapping.yaml
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Unknown - 10.9 KB - MD5: 51b219c5cb4567fa61f20fe3bb226376
dummyfile.txt
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Plain Text - 86 B - MD5: 80133076e64f00226506fc48ec98c269
This is a dummy file to make sure the figs dir was uploaded correctly to DataverseNO.
error_vs_time.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 89.5 KB - MD5: b5439415451e544b0bf08afcc1ee33ec
Jupyter Notebook for generating Figure 1 in journal article.
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