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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Dec-2025/TSscis-Rtb4-2-2-2/TSscis-Rtb4-2-2-2-sp TSscis_Rtb4_2_2_2_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-1270.42702233885097; Eh
thumbnail.jpeg17-Dec-2025/TSscis-Rtb4-2-1-3/TSscis-Rtb4-2-1-3-sp TSscis_Rtb4_2_1_3_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-1270.42180455316247; Eh
thumbnail.jpeg17-Dec-2025/TSscis-Rtb3-1-2-1/TSscis-Rtb3-1-2-1-sp TSscis_Rtb3_1_2_1_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-962.71981640232252; Eh
thumbnail.jpeg17-Dec-2025/TSscis-Rtb4-1-3-1/TSscis-Rtb4-1-3-1-sp TSscis_Rtb4_1_3_1_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-1270.42144774340522; Eh
thumbnail.jpeg17-Dec-2025/TSscis-Rtb2-1-1-1/TSscis-Rtb2-1-1-1-sp TSscis_Rtb2_1_1_1_spSer, Cher TianOrca; 6.0.0; RELEASESingle pointDLPNO-CCSD(T1)def2-TZVP; def2-TZVP/C-655.00236562842952; 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
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