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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6ome08-c3-boh3/3m-cyjohnphos-6ome08-c3-boh3-orcasp 3m_cyjohnphos_6ome08_c3_boh3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2300.95486828; Eh
thumbnail.jpeg26-Jan-2025/3c-pipr3/3c-pipr3-02-ts-rxt-c1/3c-pipr3-02-ts-rxt-c1-orcasp 3c-pipr3-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1534.55317761; Eh
thumbnail.jpeg26-Jan-2025/3s-brettphos/3s-brettphos-00-lpdoh2/3s-brettphos-00-lpdoh2-orcasp 3s-brettphos-00-lpdoh2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-4262.29146248; Eh
thumbnail.jpeg26-Jan-2025/3b-potol3/3b-potol3-01-rxt/3b-potol3-01-rxt-orcasp 3b-potol3-01-rxt-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1990.50571885; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-04-ts-c1-c2/3k-phjohnphos-04-ts-c1-c2-opt 3k-phjohnphos-04-ts-c1-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2105.53296828; Eh
thumbnail.jpeg26-Jan-2025/3d-pcpt3/3d-pcpt3-08-c3-boh3/3d-pcpt3-08-c3-boh3-opt 3d-pcpt3-08-c3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1844.35543919; Eh
thumbnail.jpeg5-May-2025/base-reactants/base-reactants-6omenaphboh2/base-reactants-6omenaphboh2-opt base_reactants_6omenaphboh2Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-675.159173537; Eh
thumbnail.jpeg26-Jan-2025/3h-ptbu3/3h-ptbu3-20-ts-t3-t4/3h-ptbu3-20-ts-t3-t4-orcasp 3h-ptbu3-20-ts-t3-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1476.37987402; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-18-t3-boh3/3x-tbubrettphos-18-t3-boh3-orcasp 3x-tbubrettphos-18-t3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.32675275; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-65-t4ob/3x-tbubrettphos-65-t4ob-orcasp 3x-tbubrettphos-65-t4ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2537.08368650; Eh
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