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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Dec-2025/TSdp-Rsb-3-2/TSdp-Rsb-3-2-opt TSdp_Rsb_3_2_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-927.77889241528283; Eh
thumbnail.jpeg17-Dec-2025/TSprop-Rp1-2/TSprop-Rp1-2-opt TSprop_Rp1_2_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-1625.62844342588937; Eh
thumbnail.jpeg17-Dec-2025/TSprop-Rp1-1/TSprop-Rp1-1-opt TSprop_Rp1_1_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-1625.62861374700469; Eh
thumbnail.jpeg17-Dec-2025/TSdp-Rsb-2-1/TSdp-Rsb-2-1-opt TSdp_Rsb_2_1_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-618.68481495269680; Eh
thumbnail.jpeg17-Dec-2025/TSdp-Rp-3-2/TSdp-Rp-3-2-opt TSdp_Rp_3_2_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-966.98750281254684; Eh
thumbnail.jpeg17-Dec-2025/TSbb-Rp3-15/TSbb-Rp3-15-sp TSbb_Rp3_15_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-962.67785071336402; Eh
thumbnail.jpeg17-Dec-2025/TSbb-Rp3-17/TSbb-Rp3-17-sp TSbb_Rp3_17_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-962.68646646144771; Eh
thumbnail.jpeg17-Dec-2025/TSbb-Rp2-15/TSbb-Rp2-15-sp TSbb_Rp2_15_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-654.96555005480218; Eh
thumbnail.jpeg17-Dec-2025/TSdp-Rp-2-1/TSdp-Rp-2-1-sp TSdp_Rp_2_1_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-654.97335832577960; Eh
thumbnail.jpeg17-Dec-2025/TSbb-Rp3-15/TSbb-Rp3-15-opt TSbb_Rp3_15_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-967.00970924989633; Eh
Results 5871-5880 of 5927 (Search time: 0.003 seconds).