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Data and manuscript for Loos et al. J. Phys. Chem. Lett. 10, 2931 (2019).
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Emmanuel Giner 4df2a3942f updated qp_create_ezfio_from_g09_zmat
2019-03-26 14:26:07 +01:00
Data g09 input 2019-03-25 22:30:19 +01:00
Data_DFT/VDZ added some data 2019-03-24 11:44:16 +01:00
Manuscript added the g09_zmat_to_qp_create.py 2019-03-26 14:03:27 +01:00
Ref updated qp_create_ezfio_from_g09_zmat 2019-03-26 14:26:07 +01:00
References refs 2019-03-22 17:21:29 +01:00
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

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