loos/srDFT_G2
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Emmanuel Giner a32b33ff92 minor push
2019-04-15 10:16:23 +02:00
Big_data
added data ecor + HF5Z
2019-04-12 12:24:44 +02:00
Data
new graph
2019-04-13 21:49:32 +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
minor push
2019-04-15 10:16:23 +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

Description
Data and manuscript for Loos et al. J. Phys. Chem. Lett. 10, 2931 (2019).
Readme 80 MiB
Languages
TeX 95.3%
Python 2.3%
Shell 2.2%
Gnuplot 0.1%