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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome10-ts-c3-c4/3t-tbujohnphos-6ome10-ts-c3-c4-orcasp 3t_tbujohnphos_6ome10_ts_c3_c4Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1894.56613195; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6cn08-c3-boh3/3t-tbujohnphos-6cn08-c3-boh3-orcasp 3t_tbujohnphos_6cn08_c3_boh3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2124.33847171; Eh
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-90-ts-hc1-hc2/3e-pcy3-90-ts-hc1-hc2-orcasp 3e-pcy3-90-ts-hc1-hc2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2192.06438167; Eh
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-14-ts-t1-t2/3e-pcy3-14-ts-t1-t2-orcasp 3e-pcy3-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1883.63249417; Eh
thumbnail.jpeg26-Jan-2025/3h-ptbu3/3h-ptbu3-05-c2/3h-ptbu3-05-c2-orcasp 3h-ptbu3-05-c2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1652.11435678; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6cn17-ts-t2-t3/3t-tbujohnphos-6cn17-ts-t2-t3-opt 3t_tbujohnphos_6cn17_ts_t2_t3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2126.54851591; Eh
thumbnail.jpeg26-Jan-2025/3g-ptbu2cy/3g-ptbu2cy-23-ts-c5-c6/3g-ptbu2cy-23-ts-c5-c6-opt 3g-ptbu2cy-23-ts-c5-c6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1807.45269238; Eh
thumbnail.jpeg26-Jan-2025/3o-davephos/3o-davephos-25-ts-t5-t6/3o-davephos-25-ts-t5-t6-opt 3o-davephos-25-ts-t5-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2322.74581978; Eh
thumbnail.jpeg26-Jan-2025/3g-ptbu2cy/3g-ptbu2cy-11-c4/3g-ptbu2cy-11-c4-opt 3g-ptbu2cy-11-c4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1555.41311272; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6ome14-ts-t1-t2/3m-cyjohnphos-6ome14-ts-t1-t2-orcasp 3m_cyjohnphos_6ome14_ts_t1_t2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2224.62587913; Eh
Results 3721-3730 of 5927 (Search time: 0.005 seconds).