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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-99-lig/3aa-adbrettphos-99-lig-orcasp 3aa-adbrettphos-99-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2161.02262938; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-25-ts-t5-t6/3aa-adbrettphos-25-ts-t5-t6-opt 3aa-adbrettphos-25-ts-t5-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-3079.85830697; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-33-ts-rxt-ya/3aa-adbrettphos-33-ts-rxt-ya-opt 3aa-adbrettphos-33-ts-rxt-ya-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-3003.56490225; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-24-t5/3aa-adbrettphos-24-t5-opt 3aa-adbrettphos-24-t5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-3079.87288543; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-34-ya/3aa-adbrettphos-34-ya-opt 3aa-adbrettphos-34-ya-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-3003.58967422; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-33-ts-rxt-ya/3aa-adbrettphos-33-ts-rxt-ya-orcasp 3aa-adbrettphos-33-ts-rxt-ya-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3000.10832269; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-25-ts-t5-t6/3aa-adbrettphos-25-ts-t5-t6-orcasp 3aa-adbrettphos-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3076.35755981; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-23-ts-c5-c6/3aa-adbrettphos-23-ts-c5-c6-orcasp 3aa-adbrettphos-23-ts-c5-c6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3076.34641317; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-34-ya/3aa-adbrettphos-34-ya-orcasp 3aa-adbrettphos-34-ya-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3000.13408621; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-24-t5/3aa-adbrettphos-24-t5-orcasp 3aa-adbrettphos-24-t5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3076.38939987; Eh
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