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Gzip Archive - 28.1 MB -
MD5: 20901409495178436f729f970e0ee16b
Primary data from DFT calculations, compressed to a tar ball. |
Gzip Archive - 4.5 MB -
MD5: bbc2a5326211600b60a683375fd0c5d7
Primary data of the calculations for side aspects of the paper. |
Gzip Archive - 442.3 MB -
MD5: 009f5d81d96448b181cb33d77762eb2a
Primary data of the calculations for the initiation reaction. All files combined to one tar-gz archive. |
Gzip Archive - 195.5 MB -
MD5: c69cd8129245fcd155bea12d6bb88cd2
Primary data of the calculations for the catalytic cycle and the non-productive cycle. All files combined to one tar-gz archive. |