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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-18-t3-boh3/9a-cbujohnphos-18-t3-boh3-orcasp 9a-cbujohnphos-18-t3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2029.92213940; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-44-ts-t3-p1/9c-etjohnphos-44-ts-t3-p1-opt 9c-etjohnphos-44-ts-t3-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2586.56022483; Eh
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-07-ts-c2-c3/9a-cbujohnphos-07-ts-c2-c3-opt 9a-cbujohnphos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2032.08584019; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-41-p1-boh3/9b-cptjohnphos-41-p1-boh3-opt 9b-cptjohnphos-41-p1-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-3228.35927591; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6ome05-c2/3m-cyjohnphos-6ome05-c2-opt 3m_cyjohnphos_6ome05_c2Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2227.10155421; Eh
thumbnail.jpeg5-May-2025/3h-ptbu3/3h-ptbu3-6cn15-t2/3h-ptbu3-6cn15-t2-opt 3h_ptbu3_6cn15_t2Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1745.95207165; Eh
thumbnail.jpeg26-Jan-2025/3t-tbujohnphos/3t-tbujohnphos-47-oacu-ref/3t-tbujohnphos-47-oacu-ref-orcasp 3t-tbujohnphos-47-oacu-ref-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3400.53782976; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-04-ts-c1-c2/3z-adjohnphos-04-ts-c1-c2-orcasp 3z-adjohnphos-04-ts-c1-c2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2419.07633456; Eh
thumbnail.jpeg26-Jan-2025/9e-pcbu3/9e-pcbu3-40-ts-t2-p1/9e-pcbu3-40-ts-t2-p1-orcasp 9e-pcbu3-40-ts-t2-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2457.79391350; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-10-ts-c3-c4/9d-mejohnphos-10-ts-c3-c4-orcasp 9d-mejohnphos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1545.31763863; Eh
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