Published October 26, 2021
| Version v2
Dataset
Open
1D scan and reactant region geometries for Fig. 2, 3 and 4
Description
Raw data for the ManyHF paper (under preparation as "ManyHF: A Pragmatic Automated Method of Finding Lower Energy Hartree-Fock Solutions for Potential Energy Surface Development")
Files
figure2_a_geoms.zip
Files
(5.3 MB)
| Name | Size | |
|---|---|---|
|
md5:2e679735821c9adf3a657d485fa4f2ab
|
5.0 kB | Preview Download |
|
md5:87bf378df7c067053861d1602c79e33d
|
5.3 kB | Preview Download |
|
md5:1b3faf4f535aa099719b95babeae1326
|
3.9 kB | Preview Download |
|
md5:467ff4e02eb36c9c92b639ec07db8a59
|
3.8 kB | Preview Download |
|
md5:c801372f39e8a2d9acccc437ee6a69ec
|
1.9 MB | Preview Download |
|
md5:212281d91cce26c9d1fb6695d698d1c1
|
1.9 MB | Preview Download |
|
md5:6e8e0e864f2ae90fa94b276e5077818d
|
1.5 MB | Preview Download |