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811 to 820 of 839 Results
Unknown - 204 B - MD5: 3b0362c4c9ccbacef0769036eaf01d43
Unknown - 197 B - MD5: b18a6d82c7caf13807b01ee9b72cbadb
Gzip Archive - 18.3 GB - MD5: 4bc6371605d3bf8ecb589d8dbb7d5ab5
Two datasets for m-toluidine obtained with larger basis set. The dataset for 2-Propanol missing in the previous version.
TAR Archive - 14.6 MB - MD5: 9606969dc781aa2a3eee9c304e52ba4b
Collection of archives (one for each molecule) containing the Gaussian input files used for the generation of the datasets.
Gzip Archive - 1.9 KB - MD5: e0b15c81e8740610cbdeb019cc1ed15e
Scripts for generating Gaussian matrix element files containing the predicted density.
Plain Text - 3.8 KB - MD5: 8f184f64b50930c659e93369f120cc94
README file.
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