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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-14-ts-t1-t2/3j-iprjohnphos-14-ts-t1-t2-opt 3j-iprjohnphos-14-ts-t1-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1879.70647970; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-15-t2/3j-iprjohnphos-15-t2-opt 3j-iprjohnphos-15-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1879.73524852; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-13-t1/3j-iprjohnphos-13-t1-opt 3j-iprjohnphos-13-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1879.72261274; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-12-ts-rxt-t1/3j-iprjohnphos-12-ts-rxt-t1-orcasp 3j-iprjohnphos-12-ts-rxt-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1877.68873531; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-14-ts-t1-t2/3j-iprjohnphos-14-ts-t1-t2-orcasp 3j-iprjohnphos-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1877.68762934; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-11-c4/3j-iprjohnphos-11-c4-orcasp 3j-iprjohnphos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1702.03097732; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-15-t2/3j-iprjohnphos-15-t2-orcasp 3j-iprjohnphos-15-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1877.72410385; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-13-t1/3j-iprjohnphos-13-t1-orcasp 3j-iprjohnphos-13-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1877.69993181; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-07-ts-c2-c3/3j-iprjohnphos-07-ts-c2-c3-opt 3j-iprjohnphos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1956.06390053; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-10-ts-c3-c4/3j-iprjohnphos-10-ts-c3-c4-opt 3j-iprjohnphos-10-ts-c3-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1703.95944552; Eh
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