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Showing results 1387 to 1406 of 4618 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Apr-2024/Dianionic rev_frq_ts-6-5-Fh_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic rev_frq_ts_-5-5_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic rev_frq_ts_5-5-2_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic rev_frq_ts_6-5-Fp_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic rev_frq_ts_6-5-Gh_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic rev_frq_ts_6-5-Gp_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic rev_frq_ts_6-6_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic ts_5-5-2_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic ts_5_5_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic ts_6-5-Fh_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic ts_6-5-Fp_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic ts_6_5-Gh_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic ts_6_5-Gp_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required22-Apr-2024/Dianionic ts_TS_6-6_-2_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg4-Oct-2021/dicobalt diCo_frqSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg4-Oct-2021/dicobalt diCo_optSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg4-Oct-2021/dicopper diCu_D_3_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg4-Oct-2021/dicopper diCu_D_frqSwart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg4-Oct-2021/dicopper diCu_D_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg4-Oct-2021/dicopper diCu_D_uvSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-