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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-04-ts-c1-c2/3e-pcy3-04-ts-c1-c2-orcasp 3e-pcy3-04-ts-c1-c2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1883.63005053; Eh
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-2025/3o-davephos/3o-davephos-19-t3/3o-davephos-19-t3-orcasp 3o-davephos-19-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2068.30192721; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6cne02-ts-ecrxt-ec1/3e-pcy3-6cne02-ts-ecrxt-ec1-opt 3e_pcy3_6cne02_ts_ecrxt_ec1Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2211.97879850; Eh
thumbnail.jpeg26-Jan-2025/3o-davephos/3o-davephos-12-ts-rxt-t1/3o-davephos-12-ts-rxt-t1-opt 3o-davephos-12-ts-rxt-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2246.43722330; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome09-c3/3t-tbujohnphos-6ome09-c3-opt 3t_tbujohnphos_6ome09_c3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1896.77285221; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6cn05-c2/3e-pcy3-6cn05-c2-opt 3e_pcy3_6cn05_c2Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1977.84416582; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6cne17-et2-h2o/3t-tbujohnphos-6cne17-et2-h2o-orcasp 3t_tbujohnphos_6cne17_et2_h2oSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2358.17702333; Eh
thumbnail.jpeg26-Jan-2025/3t-tbujohnphos/3t-tbujohnphos-46-ub-ref/3t-tbujohnphos-46-ub-ref-orcasp 3t-tbujohnphos-46-ub-ref-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2791.45847175; Eh
thumbnail.jpeg26-Jan-2025/3m-cyjohnphos/3m-cyjohnphos-18-t3-boh3/3m-cyjohnphos-18-t3-boh3-orcasp 3m-cyjohnphos-18-t3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2186.70412515; Eh
Results 5721-5730 of 5927 (Search time: 0.004 seconds).