loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
335 Commits 1 Branch 0 Tags
Go to file
Clone
Open with VS Code Open with VSCodium Open with Intellij IDEA
Download ZIP Download TAR.GZ Download BUNDLE
Pierre-Francois Loos 52cf00f5fb minor
2019-04-23 14:53:18 +02:00
Big_data
added data_HF_5z+ec_v5z
2019-04-16 10:09:32 +02:00
Cover_Letter
first screening
2019-04-22 22:00:45 +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
2019-04-23 14:53:18 +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%