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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-21-t4/9d-mejohnphos-21-t4-orcasp 9d-mejohnphos-21-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1545.35757041; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-17-ts-t2-t3/9d-mejohnphos-17-ts-t2-t3-opt 9d-mejohnphos-17-ts-t2-t3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1799.08933887; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-18-t3-boh3/9d-mejohnphos-18-t3-boh3-opt 9d-mejohnphos-18-t3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1799.11607054; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-16-t2-h2o/9d-mejohnphos-16-t2-h2o-opt 9d-mejohnphos-16-t2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1799.11584199; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-15-t2/9d-mejohnphos-15-t2-opt 9d-mejohnphos-15-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1722.80250105; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-17-ts-t2-t3/9d-mejohnphos-17-ts-t2-t3-orcasp 9d-mejohnphos-17-ts-t2-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1797.25949097; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-14-ts-t1-t2/9d-mejohnphos-14-ts-t1-t2-orcasp 9d-mejohnphos-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1720.99095684; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-16-t2-h2o/9d-mejohnphos-16-t2-h2o-orcasp 9d-mejohnphos-16-t2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1797.28545188; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-18-t3-boh3/9d-mejohnphos-18-t3-boh3-orcasp 9d-mejohnphos-18-t3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1797.28977694; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-15-t2/9d-mejohnphos-15-t2-orcasp 9d-mejohnphos-15-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1721.02584373; Eh
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