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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-20-ts-t3-t4/3k-phjohnphos-20-ts-t3-t4-opt 3k-phjohnphos-20-ts-t3-t4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1929.78288652; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-18-t3-boh3/3k-phjohnphos-18-t3-boh3-opt 3k-phjohnphos-18-t3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2181.86839751; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-19-t3/3k-phjohnphos-19-t3-opt 3k-phjohnphos-19-t3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1929.81006121; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-17-ts-t2-t3/3k-phjohnphos-17-ts-t2-t3-orcasp 3k-phjohnphos-17-ts-t2-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2179.56276174; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-20-ts-t3-t4/3k-phjohnphos-20-ts-t3-t4-orcasp 3k-phjohnphos-20-ts-t3-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1927.61500024; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-16-t2-h2o/3k-phjohnphos-16-t2-h2o-orcasp 3k-phjohnphos-16-t2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2179.58437859; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-18-t3-boh3/3k-phjohnphos-18-t3-boh3-orcasp 3k-phjohnphos-18-t3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2179.58390981; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-19-t3/3k-phjohnphos-19-t3-orcasp 3k-phjohnphos-19-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1927.65536621; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-12-ts-rxt-t1/3k-phjohnphos-12-ts-rxt-t1-opt 3k-phjohnphos-12-ts-rxt-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2105.53185749; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-14-ts-t1-t2/3k-phjohnphos-14-ts-t1-t2-opt 3k-phjohnphos-14-ts-t1-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2105.53013726; Eh
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