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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Apr-2024/Dianionic fwd_frq_ts_5-5_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg22-Apr-2024/Neutral rev_frq_ts_66_1_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg22-Apr-2024/Neutral rev_frq_ts_55_1_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg22-Apr-2024/FeS2 ts_6-6-Fe_2_0_5Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Sep-2024frq_Ni-OH_-2_1_1327558_outSwart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Sep-2024frq_Ni-OH_-1_2_1327557_outSwart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
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