loos/srDFT_G2
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Data and manuscript for Loos et al. J. Phys. Chem. Lett. 10, 2931 (2019).
280 Commits 1 Branch 0 Tags 80 MiB
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Pierre-Francois Loos 0b8e15a568 Tew07
2019-04-12 12:33:51 +02:00
Big_data added data ecor + HF5Z 2019-04-12 12:24:44 +02:00
Data data 2019-04-06 20:27:44 +02:00
Data_DFT added the core valence calculations 2019-04-08 20:56:21 +02:00
G09 added extrap* 2019-04-10 10:33:01 +02:00
Manuscript valence OK 2019-04-12 12:31:47 +02:00
Ref updated atomization energies 2019-03-31 19:10:04 +02:00
References Tew07 2019-04-12 12:33:51 +02:00
README.md Initial commit 2018-12-04 15:13:53 +01:00
srDFT_G2.nb refs 2019-03-22 15:34:15 +01:00

README.md

srDFT_G2