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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3o-davephos/3o-davephos-11-c4/3o-davephos-11-c4-opt 3o-davephos-11-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2070.71453189; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6cn18-t3-boh3/3e-pcy3-6cn18-t3-boh3-orcasp 3e_pcy3_6cn18_t3_boh3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2051.91944564; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-05-c2/3y-me4tbuxphos-05-c2-opt 3y-me4tbuxphos-05-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2468.22277743; Eh
thumbnail.jpeg26-Jan-2025/3f-pcy2tbu/3f-pcy2tbu-11-c4/3f-pcy2tbu-11-c4-opt 3f-pcy2tbu-11-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1632.69924116; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-73-ts-t4ob-t5ob/3y-me4tbuxphos-73-ts-t4ob-t5ob-orcasp 3y-me4tbuxphos-73-ts-t4ob-t5ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.30777542; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-70-t4ob-2h2o/3x-tbubrettphos-70-t4ob-2h2o-orcasp 3x-tbubrettphos-70-t4ob-2h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2689.59577821; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-40-ts-t2-p1/9c-etjohnphos-40-ts-t2-p1-orcasp 9c-etjohnphos-40-ts-t2-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2759.56254305; Eh
thumbnail.jpeg26-Jan-2025/3g-ptbu2cy/3g-ptbu2cy-20-ts-t3-t4/3g-ptbu2cy-20-ts-t3-t4-orcasp 3g-ptbu2cy-20-ts-t3-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1553.58127380; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6cne16-et2/3m-cyjohnphos-6cne16-et2-orcasp 3m_cyjohnphos_6cne16_et2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2436.30357661; Eh
thumbnail.jpeg26-Jan-2025/9e-pcbu3/9e-pcbu3-42-p1/9e-pcbu3-42-p1-orcasp 9e-pcbu3-42-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2205.91761095; Eh
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