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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-19-t3/3y-me4tbuxphos-19-t3-orcasp 3y-me4tbuxphos-19-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2289.64742850; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-12-ts-rxt-t1/3y-me4tbuxphos-12-ts-rxt-t1-opt 3y-me4tbuxphos-12-ts-rxt-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2468.16151114; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-14-ts-t1-t2/3y-me4tbuxphos-14-ts-t1-t2-opt 3y-me4tbuxphos-14-ts-t1-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2468.17534756; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-15-t2/3y-me4tbuxphos-15-t2-opt 3y-me4tbuxphos-15-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2468.20589648; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-13-t1/3y-me4tbuxphos-13-t1-opt 3y-me4tbuxphos-13-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2468.19061804; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-12-ts-rxt-t1/3y-me4tbuxphos-12-ts-rxt-t1-orcasp 3y-me4tbuxphos-12-ts-rxt-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.27459492; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-14-ts-t1-t2/3y-me4tbuxphos-14-ts-t1-t2-orcasp 3y-me4tbuxphos-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.27227195; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-15-t2/3y-me4tbuxphos-15-t2-orcasp 3y-me4tbuxphos-15-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.31257987; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-13-t1/3y-me4tbuxphos-13-t1-orcasp 3y-me4tbuxphos-13-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.28576116; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-11-c4/3y-me4tbuxphos-11-c4-orcasp 3y-me4tbuxphos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2289.61692366; Eh
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