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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-06-c2-h2o/9d-mejohnphos-06-c2-h2o-opt 9d-mejohnphos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1799.14546903; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-08-c3-boh3/9d-mejohnphos-08-c3-boh3-opt 9d-mejohnphos-08-c3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1799.14777299; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-09-c3/9d-mejohnphos-09-c3-opt 9d-mejohnphos-09-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1547.08294911; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-07-ts-c2-c3/9d-mejohnphos-07-ts-c2-c3-orcasp 9d-mejohnphos-07-ts-c2-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1797.31028065; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-06-c2-h2o/9d-mejohnphos-06-c2-h2o-orcasp 9d-mejohnphos-06-c2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1797.31986949; 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.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-09-c3/9d-mejohnphos-09-c3-orcasp 9d-mejohnphos-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1545.37304769; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-05-c2/9d-mejohnphos-05-c2-orcasp 9d-mejohnphos-05-c2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1721.06053624; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-02-ts-rxt-c1/9d-mejohnphos-02-ts-rxt-c1-opt 9d-mejohnphos-02-ts-rxt-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1722.76568158; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-04-ts-c1-c2/9d-mejohnphos-04-ts-c1-c2-opt 9d-mejohnphos-04-ts-c1-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1722.78319301; Eh
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