Browse Collection: benchmark2019
benchmark2019
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/24
2026-05-12T00:54:40Z
2026-05-12T00:54:40Z
/fe_aq6 sext_bp_d3_tzvp_opt_Th
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/39
2019-02-01T17:36:25Z
2019-02-01T18:36:24Z
Title: /fe_aq6 sext_bp_d3_tzvp_opt_Th
Authors: Mariusz, Radon
Description: sextet GS optimized in gas phase
2019-02-01T18:36:24Z
/fe_en3 doubl_bp_d3_tzvp_opt
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/38
2019-02-01T17:36:24Z
2019-02-01T18:36:23Z
Title: /fe_en3 doubl_bp_d3_tzvp_opt
Authors: Mariusz, Radon
Description: Doublet GS (2A1 in D3, lel3) optimized in gas phase at BP86-D3/def2-TZVP level
2019-02-01T18:36:23Z
/fe_en3 doubl_pbe_pob_tzvp_opt
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/37
2019-02-01T17:36:23Z
2019-02-01T18:36:21Z
Title: /fe_en3 doubl_pbe_pob_tzvp_opt
Authors: Mariusz, Radon
Description: Doublet GS (2A1 in D3, lel3) optimized in gas phase at PBE/pob-TZVP level
2019-02-01T18:36:21Z
/fe_acac2trien c2_2a_bp_d3_tzvp_opt
Mariusz, Radon
https://tungsten.ch.uj.edu.pl:8080/browse/handle/100/36
2019-02-01T17:36:20Z
2019-02-01T18:36:18Z
Title: /fe_acac2trien c2_2a_bp_d3_tzvp_opt
Authors: Mariusz, Radon
Description: Doublet (2A) optimized in gas phase
2019-02-01T18:36:18Z