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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg17-Dec-2025/TSbb-Rp2-15/TSbb-Rp2-15-opt TSbb_Rp2_15_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-657.91975739779639; Eh
thumbnail.jpeg17-Dec-2025/TSbb-Rp3-17/TSbb-Rp3-17-opt TSbb_Rp3_17_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-967.01925156071400; Eh
thumbnail.jpeg17-Dec-2025/TSdp-Rp-2-1/TSdp-Rp-2-1-opt TSdp_Rp_2_1_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-657.89549946742648; Eh
thumbnail.jpeg17-Dec-2025/styrene/styrene-sp styrene_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-307.69533466638813; Eh
Results 2951-2960 of 5927 (Search time: 0.004 seconds).