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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3c-pipr3/3c-pipr3-24-t5/3c-pipr3-24-t5-opt 3c-pipr3-24-t5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1612.48667720; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-33-ts-rxt-ya/3aa-adbrettphos-33-ts-rxt-ya-orcasp 3aa-adbrettphos-33-ts-rxt-ya-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3000.10832269; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6omee06-ec2-h2o/3m-cyjohnphos-6omee06-ec2-h2o-orcasp 3m_cyjohnphos_6omee06_ec2_h2oSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2534.82500170; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-10-ts-c3-c4/9b-cptjohnphos-10-ts-c3-c4-orcasp 9b-cptjohnphos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1856.35533899; Eh
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-08-c3-boh3/9a-cbujohnphos-08-c3-boh3-orcasp 9a-cbujohnphos-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2029.94471821; Eh
thumbnail.jpeg26-Jan-2025/3p-sphos/3p-sphos-12-ts-rxt-t1/3p-sphos-12-ts-rxt-t1-orcasp 3p-sphos-12-ts-rxt-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2338.85879925; Eh
thumbnail.jpeg26-Jan-2025/3a-pph3/3a-pph3-24-t5/3a-pph3-24-t5-orcasp 3a-pph3-24-t5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1949.23068582; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-66-ts-t2-t4ob/3y-me4tbuxphos-66-ts-t2-t4ob-opt 3y-me4tbuxphos-66-ts-t2-t4ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2468.17062391; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6cne15-ts-et1-et2/3m-cyjohnphos-6cne15-ts-et1-et2-opt 3m_cyjohnphos_6cne15_ts_et1_et2Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2438.99675380; Eh
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-94-ts-hc3-pd0boh3/3e-pcy3-94-ts-hc3-pd0boh3-opt 3e-pcy3-94-ts-hc3-pd0boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2194.58970543; Eh
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