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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Apr-2024/FeS1 frq_rev_frq_ts_6-5-Gh-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_rev_frq_ts_6-5-Gp-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_rev_frq_ts_6-6-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_rev_frq_ts_6_5FhFe_2_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_rev_frq_ts_6_6Fe_2_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_5-5-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_5_5Fe_2_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_6-5-Fh-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_6-5-Fp-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_6-5-Gh-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_6-5-Gp-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_6-6-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_6_5FhFe_2_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 frq_ts_6_6Fe_2_0_3Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 fwd_frq_ts_5-5-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 fwd_frq_ts_5_5Fe_2_0_3Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 fwd_frq_ts_6-5-Fh-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 fwd_frq_ts_6-5-Fp-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 fwd_frq_ts_6-5-Gh-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/FeS1 fwd_frq_ts_6-5-Gp-Fe_0_3Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-