Journal article Open Access
Elucidating atmospheric brown carbon - Supplanting chemical intuition with exhaustive enumeration and machine learning
Tapavicza, Enrico;
von Rudorff, Guido Falk;
De Haan, David O.;
Contin, Mario;
George, Christian;
Riva, Matthieu;
von Lilienfeld, O. Anatole
Stable molecules found in the exhaustive enumeration of atmospheric brown carbon candidate molecules matching an experimental spectrum (*.gz) based on a machine learning method built from ADC2 calculations (adc2_energies.dat) of reference geometries (structures.dat).
Files
(49.2 GB)
| Name | Size | |
|---|---|---|
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adc2_energies.dat
md5:309d97d6048b5ee8b636298772359e67 |
23.2 MB | Download |
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P.gz
md5:db2bdffdff18079cc5daafebd18b57d1 |
2.1 GB | Download |
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Q.gz
md5:389f599fa447feb85a2db9bca194dff8 |
2.6 GB | Download |
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R.gz
md5:baa530aa8347bb7fb989091e08ad29e4 |
3.3 GB | Download |
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S.gz
md5:0c159e4b9cda928b4e71a547a181b609 |
3.5 GB | Download |
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structures.dat
md5:e1f71e184dca92b7c68d0fd10ee13cb1 |
655.9 MB | Download |
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T.gz
md5:1548437a162acb1caf5ccd25dfe809a2 |
3.3 GB | Download |
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U.gz
md5:4ad6e1fea771e393a575431128d44eb4 |
3.6 GB | Download |
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V.gz
md5:39d09450ee251f151d994faafef52d3b |
3.6 GB | Download |
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W.gz
md5:229b2df16527bab4eb70f533d545c994 |
3.5 GB | Download |
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X.gz
md5:826b46725e531bc2e2e9cbb0eb0f1df5 |
3.0 GB | Download |
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Y.gz
md5:360f2a71499852cedaabbb6ffb7faf22 |
2.9 GB | Download |
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Z.gz
md5:12e5876b95243af6f7399b9f38be1a62 |
2.5 GB | Download |
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ZA.gz
md5:8df04be40ebc43be693b7897f6c053f9 |
2.0 GB | Download |
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ZB.gz
md5:d8cd011befbd585f4620ddf511206eee |
3.4 GB | Download |
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ZC.gz
md5:19b0c51080e1ac5d80e85eece5692ad4 |
3.3 GB | Download |
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ZD.gz
md5:aa7b7fea1140e60bf6dd1800e237bc81 |
4.2 GB | Download |
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ZE.gz
md5:9f7c826e90eb62dbbbd8b1e00b9ed6ce |
1.8 GB | Download |
71
11
views
downloads
| All versions | This version | |
|---|---|---|
| Views | 71 | 71 |
| Downloads | 11 | 11 |
| Data volume | 4.5 GB | 4.5 GB |
| Unique views | 66 | 66 |
| Unique downloads | 10 | 10 |
Indexed in
- Publication date:
- January 15, 2021
- DOI:
-
- License (for files):
- Creative Commons Attribution 4.0 International