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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-11-c4/9b-cptjohnphos-11-c4-opt 9b-cptjohnphos-11-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1858.52565647; 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-2025/9b-cptjohnphos/9b-cptjohnphos-07-ts-c2-c3/9b-cptjohnphos-07-ts-c2-c3-orcasp 9b-cptjohnphos-07-ts-c2-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2108.34141389; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-08-c3-boh3/9b-cptjohnphos-08-c3-boh3-orcasp 9b-cptjohnphos-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2108.34930487; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-09-c3/9b-cptjohnphos-09-c3-orcasp 9b-cptjohnphos-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1856.40889073; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-04-ts-c1-c2/9b-cptjohnphos-04-ts-c1-c2-opt 9b-cptjohnphos-04-ts-c1-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2034.25020746; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-06-c2-h2o/9b-cptjohnphos-06-c2-h2o-opt 9b-cptjohnphos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2110.61126625; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-03-c1/9b-cptjohnphos-03-c1-opt 9b-cptjohnphos-03-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2034.25614376; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-05-c2/9b-cptjohnphos-05-c2-opt 9b-cptjohnphos-05-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2034.30620083; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-02-ts-rxt-c1/9b-cptjohnphos-02-ts-rxt-c1-orcasp 9b-cptjohnphos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2032.02207516; Eh
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