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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-13-t1/3v-tbudavephos-13-t1-opt 3v-tbudavephos-13-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2091.88286875; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-12-ts-rxt-t1/3v-tbudavephos-12-ts-rxt-t1-orcasp 3v-tbudavephos-12-ts-rxt-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2089.55216036; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-14-ts-t1-t2/3v-tbudavephos-14-ts-t1-t2-orcasp 3v-tbudavephos-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2089.54885735; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-10-ts-c3-c4/3v-tbudavephos-10-ts-c3-c4-orcasp 3v-tbudavephos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1913.86992080; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-11-c4/3v-tbudavephos-11-c4-orcasp 3v-tbudavephos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1913.88876961; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-13-t1/3v-tbudavephos-13-t1-orcasp 3v-tbudavephos-13-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2089.56559158; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-10-ts-c3-c4/3v-tbudavephos-10-ts-c3-c4-opt 3v-tbudavephos-10-ts-c3-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1916.11655432; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-07-ts-c2-c3/3v-tbudavephos-07-ts-c2-c3-opt 3v-tbudavephos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2168.21806549; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-06-c2-h2o/3v-tbudavephos-06-c2-h2o-opt 3v-tbudavephos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2168.22393339; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-08-c3-boh3/3v-tbudavephos-08-c3-boh3-opt 3v-tbudavephos-08-c3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2168.22864401; Eh
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