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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-09-c3/9c-etjohnphos-09-c3-orcasp 9c-etjohnphos-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1623.72476007; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-11-c4/9c-etjohnphos-11-c4-orcasp 9c-etjohnphos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1623.69556989; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-07-ts-c2-c3/9c-etjohnphos-07-ts-c2-c3-opt 9c-etjohnphos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1877.59993537; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-04-ts-c1-c2/9c-etjohnphos-04-ts-c1-c2-opt 9c-etjohnphos-04-ts-c1-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1801.24487632; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-06-c2-h2o/9c-etjohnphos-06-c2-h2o-opt 9c-etjohnphos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1877.61343864; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-08-c3-boh3/9c-etjohnphos-08-c3-boh3-opt 9c-etjohnphos-08-c3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1877.61130822; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-05-c2/9c-etjohnphos-05-c2-opt 9c-etjohnphos-05-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1801.30555999; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-04-ts-c1-c2/9c-etjohnphos-04-ts-c1-c2-orcasp 9c-etjohnphos-04-ts-c1-c2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.33582192; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-07-ts-c2-c3/9c-etjohnphos-07-ts-c2-c3-orcasp 9c-etjohnphos-07-ts-c2-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1875.65392306; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-06-c2-h2o/9c-etjohnphos-06-c2-h2o-orcasp 9c-etjohnphos-06-c2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1875.66752936; Eh
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