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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-40-ts-t2-p1/3j-iprjohnphos-40-ts-t2-p1-opt 3j-iprjohnphos-40-ts-t2-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2919.22482872; Eh
thumbnail.jpeg26-Jan-2025/3y-me4tbuxphos/3y-me4tbuxphos-16-t2-h2o/3y-me4tbuxphos-16-t2-h2o-opt 3y-me4tbuxphos-16-t2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2544.51263936; Eh
thumbnail.jpeg26-Jan-2025/3l-phdavephos/3l-phdavephos-16-t2-h2o/3l-phdavephos-16-t2-h2o-opt 3l-phdavephos-16-t2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2315.58144680; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-43-t3-lig/9b-cptjohnphos-43-t3-lig-opt 9b-cptjohnphos-43-t3-lig-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-3052.58029855; Eh
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-44-ts-t3-p1/3e-pcy3-44-ts-t3-p1-opt 3e-pcy3-44-ts-t3-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2755.48994547; 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-2025/3s-brettphos/3s-brettphos-38-ts-yb-c1/3s-brettphos-38-ts-yb-c1-orcasp 3s-brettphos-38-ts-yb-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2767.67996421; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-03-c1/3k-phjohnphos-03-c1-orcasp 3k-phjohnphos-03-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2103.28355164; Eh
thumbnail.jpeg26-Jan-2025/3p-sphos/3p-sphos-21-t4/3p-sphos-21-t4-orcasp 3p-sphos-21-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2163.21908336; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome12-ts-rxt-t1/3t-tbujohnphos-6ome12-ts-rxt-t1-opt 3t_tbujohnphos_6ome12_ts_rxt_t1Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2072.47125417; Eh
Results 2811-2820 of 5927 (Search time: 0.004 seconds).