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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-34-ya/3j-iprjohnphos-34-ya-orcasp 3j-iprjohnphos-34-ya-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1877.69158964; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-23-ts-c5-c6/3j-iprjohnphos-23-ts-c5-c6-opt 3j-iprjohnphos-23-ts-c5-c6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1956.02049687; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-22-c5/3j-iprjohnphos-22-c5-opt 3j-iprjohnphos-22-c5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1956.06666743; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-21-t4/3j-iprjohnphos-21-t4-opt 3j-iprjohnphos-21-t4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1703.98771639; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-24-t5/3j-iprjohnphos-24-t5-opt 3j-iprjohnphos-24-t5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1956.02180381; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-23-ts-c5-c6/3j-iprjohnphos-23-ts-c5-c6-orcasp 3j-iprjohnphos-23-ts-c5-c6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1953.94092246; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-20-ts-t3-t4/3j-iprjohnphos-20-ts-t3-t4-orcasp 3j-iprjohnphos-20-ts-t3-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1702.01503103; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-21-t4/3j-iprjohnphos-21-t4-orcasp 3j-iprjohnphos-21-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1702.05378773; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-24-t5/3j-iprjohnphos-24-t5-orcasp 3j-iprjohnphos-24-t5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1953.95792831; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-22-c5/3j-iprjohnphos-22-c5-orcasp 3j-iprjohnphos-22-c5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1954.00147530; Eh
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