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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Dec-2025/TSscis-Rtb3-1-2-1/TSscis-Rtb3-1-2-1-opt TSscis_Rtb3_1_2_1_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-967.01777721254848; Eh
thumbnail.jpeg17-Dec-2025/TSscis-Rtb2-1-1-1/TSscis-Rtb2-1-1-1-opt TSscis_Rtb2_1_1_1_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-657.92520582433121; Eh
thumbnail.jpeg17-Dec-2025/TSscis-Rtb4-2-2-2/TSscis-Rtb4-2-2-2-opt TSscis_Rtb4_2_2_2_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-1276.10742413590583; Eh
thumbnail.jpeg17-Dec-2025/TSprop-SCF3-1/TSprop-SCF3-1-sp TSprop_SCF3_1_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-2004.88080610711859; Eh
thumbnail.jpeg17-Dec-2025/TSprop-SCF3-2/TSprop-SCF3-2-sp TSprop_SCF3_2_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-2004.86963411181841; Eh
thumbnail.jpeg17-Dec-2025/TSprop-Rsb1-2/TSprop-Rsb1-2-sp TSprop_Rsb1_2_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-1579.26599967498532; Eh
thumbnail.jpeg17-Dec-2025/TSprop-Rsb1-1/TSprop-Rsb1-1-sp TSprop_Rsb1_1_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-1579.28464296819948; Eh
thumbnail.jpeg17-Dec-2025/TSprop-Rp1-2/TSprop-Rp1-2-sp TSprop_Rp1_2_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-1618.30621402317865; Eh
thumbnail.jpeg17-Dec-2025/TSprop-SCF3-2/TSprop-SCF3-2-opt TSprop_SCF3_2_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-2011.72343423282427; Eh
thumbnail.jpeg17-Dec-2025/TSprop-SCF3-1/TSprop-SCF3-1-opt TSprop_SCF3_1_optSer, Cher TianOrca; 6.0.0; RELEASEGeometry optimization TSDFTdef2-SVP-2011.72963751046518; Eh
Results 2931-2940 of 5927 (Search time: 0.005 seconds).