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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-20-ts-t3-t4/3v-tbudavephos-20-ts-t3-t4-opt 3v-tbudavephos-20-ts-t3-t4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1916.11859723; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-22-c5/3v-tbudavephos-22-c5-opt 3v-tbudavephos-22-c5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2168.20657746; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-21-t4/3v-tbudavephos-21-t4-opt 3v-tbudavephos-21-t4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1916.14970671; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-23-ts-c5-c6/3v-tbudavephos-23-ts-c5-c6-orcasp 3v-tbudavephos-23-ts-c5-c6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2165.79216954; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-20-ts-t3-t4/3v-tbudavephos-20-ts-t3-t4-orcasp 3v-tbudavephos-20-ts-t3-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1913.87894414; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-22-c5/3v-tbudavephos-22-c5-orcasp 3v-tbudavephos-22-c5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2165.84662757; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-21-t4/3v-tbudavephos-21-t4-orcasp 3v-tbudavephos-21-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1913.91970619; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-19-t3/3v-tbudavephos-19-t3-orcasp 3v-tbudavephos-19-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1913.91775655; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-17-ts-t2-t3/3v-tbudavephos-17-ts-t2-t3-opt 3v-tbudavephos-17-ts-t2-t3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2168.17856349; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-16-t2-h2o/3v-tbudavephos-16-t2-h2o-opt 3v-tbudavephos-16-t2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2168.20196874; Eh
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