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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Apr-2024/FeS0 opt_65GpFe2_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_66Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_c36_Fe1_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_c36_Fe2_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_c36_Fe3_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_c36_Fe4_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_c36_Fe5_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_c36_Fe6_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 opt_Fe-12_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_5_5_Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_6-5-Fh_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_6-5-Gh-2_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_6-5-Gp-2_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_6_5_Fp-Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_6_5_Gh_Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_6_5_Gp_Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 rev_frq_ts_6_6_Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 ts_55_Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 ts_6-5-Fh_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS0 ts_65_Gh_Fe_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-