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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-65-t4ob/3y-me4tbuxphos-65-t4ob-opt 3y-me4tbuxphos-65-t4ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2468.20718986; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-68-ts-t4ob-t4-4mps/3y-me4tbuxphos-68-ts-t4ob-t4-4mps-orcasp 3y-me4tbuxphos-68-ts-t4ob-t4-4mps-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2541.52363433; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-64-ts-t3ob-t4ob/3y-me4tbuxphos-64-ts-t3ob-t4ob-orcasp 3y-me4tbuxphos-64-ts-t3ob-t4ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.27872223; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-66-ts-t2-t4ob/3y-me4tbuxphos-66-ts-t2-t4ob-orcasp 3y-me4tbuxphos-66-ts-t2-t4ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.26857074; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-67-t4ob-h2o/3y-me4tbuxphos-67-t4ob-h2o-orcasp 3y-me4tbuxphos-67-t4ob-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2541.59522328; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-65-t4ob/3y-me4tbuxphos-65-t4ob-orcasp 3y-me4tbuxphos-65-t4ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2465.31496662; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-64-ts-t3ob-t4ob/3y-me4tbuxphos-64-ts-t3ob-t4ob-opt 3y-me4tbuxphos-64-ts-t3ob-t4ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2468.18046939; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-60-ts-t2-t3ob/3y-me4tbuxphos-60-ts-t2-t3ob-opt 3y-me4tbuxphos-60-ts-t2-t3ob-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2620.79883423; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-61-t3ob-2h2o/3y-me4tbuxphos-61-t3ob-2h2o-opt 3y-me4tbuxphos-61-t3ob-2h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2620.81859721; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-62-t3ob-h2o/3y-me4tbuxphos-62-t3ob-h2o-opt 3y-me4tbuxphos-62-t3ob-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2544.50285962; Eh
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