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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-18-t3-boh3/3v-tbudavephos-18-t3-boh3-opt 3v-tbudavephos-18-t3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2168.20115908; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-15-t2/3v-tbudavephos-15-t2-opt 3v-tbudavephos-15-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2091.89491148; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-19-t3/3v-tbudavephos-19-t3-opt 3v-tbudavephos-19-t3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1916.14673559; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-17-ts-t2-t3/3v-tbudavephos-17-ts-t2-t3-orcasp 3v-tbudavephos-17-ts-t2-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2165.81805615; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-16-t2-h2o/3v-tbudavephos-16-t2-h2o-orcasp 3v-tbudavephos-16-t2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2165.83177567; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-18-t3-boh3/3v-tbudavephos-18-t3-boh3-orcasp 3v-tbudavephos-18-t3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2165.83911545; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-15-t2/3v-tbudavephos-15-t2-orcasp 3v-tbudavephos-15-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2089.58546555; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-12-ts-rxt-t1/3v-tbudavephos-12-ts-rxt-t1-opt 3v-tbudavephos-12-ts-rxt-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2091.86129257; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-14-ts-t1-t2/3v-tbudavephos-14-ts-t1-t2-opt 3v-tbudavephos-14-ts-t1-t2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2091.86532451; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-11-c4/3v-tbudavephos-11-c4-opt 3v-tbudavephos-11-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1916.13439334; Eh
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