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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3s-brettphos/3s-brettphos-02-ts-rxt-c1/3s-brettphos-02-ts-rxt-c1-orcasp 3s-brettphos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2691.42294972; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-20-ts-t3-t4/3w-tbuxphos-20-ts-t3-t4-orcasp 3w-tbuxphos-20-ts-t3-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2132.93354528; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-08-c3-boh3/9d-mejohnphos-08-c3-boh3-orcasp 9d-mejohnphos-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1797.31621106; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6cn21-t4/3m-cyjohnphos-6cn21-t4-orcasp 3m_cyjohnphos_6cn21_t4Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2026.77258347; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-01-rxt/3x-tbubrettphos-01-rxt-orcasp 3x-tbubrettphos-01-rxt-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2537.06627708; Eh
thumbnail.jpeg26-Jan-2025/3l-phdavephos/3l-phdavephos-15-t2/3l-phdavephos-15-t2-orcasp 3l-phdavephos-15-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2236.85450465; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-04-ts-c1-c2/3aa-adbrettphos-04-ts-c1-c2-opt 3aa-adbrettphos-04-ts-c1-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-3003.54810369; Eh
thumbnail.jpeg5-May-2025/3h-ptbu3/3h-ptbu3-6cn18-t3-boh3/3h-ptbu3-6cn18-t3-boh3-opt 3h_ptbu3_6cn18_t3_boh3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1822.26448917; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-18-t3-boh3/9c-etjohnphos-18-t3-boh3-opt 9c-etjohnphos-18-t3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1877.58232589; Eh
thumbnail.jpeg26-Jan-2025/3f-pcy2tbu/3f-pcy2tbu-18-t3-boh3/3f-pcy2tbu-18-t3-boh3-opt 3f-pcy2tbu-18-t3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1884.76013413; Eh
Results 3621-3630 of 5927 (Search time: 0.007 seconds).