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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-05-c2/9c-etjohnphos-05-c2-orcasp 9c-etjohnphos-05-c2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.40380056; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-02-ts-rxt-c1/9c-etjohnphos-02-ts-rxt-c1-opt 9c-etjohnphos-02-ts-rxt-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1801.23306208; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-00-lpdoh2/9c-etjohnphos-00-lpdoh2-opt 9c-etjohnphos-00-lpdoh2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2480.80854978; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-01-rxt/9c-etjohnphos-01-rxt-opt 9c-etjohnphos-01-rxt-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1801.25709545; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-03-c1/9c-etjohnphos-03-c1-opt 9c-etjohnphos-03-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1801.26142084; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-02-ts-rxt-c1/9c-etjohnphos-02-ts-rxt-c1-orcasp 9c-etjohnphos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.33060738; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-00-lpdoh2/9c-etjohnphos-00-lpdoh2-orcasp 9c-etjohnphos-00-lpdoh2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2478.10893435; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-01-rxt/9c-etjohnphos-01-rxt-orcasp 9c-etjohnphos-01-rxt-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.36357088; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-99-lig/9b-cptjohnphos-99-lig-orcasp 9b-cptjohnphos-99-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1192.91548610; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-03-c1/9c-etjohnphos-03-c1-orcasp 9c-etjohnphos-03-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.34948383; Eh
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