Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2025/base-reactants/base-reactants-6omenaph/base-reactants-6omenaph-opt base_reactants_6omenaphSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-499.456674224; Eh
thumbnail.jpeg5-May-2025/base-reactants/base-reactants-6cnnaphbpin/base-reactants-6cnnaphbpin-orcasp base_reactants_6cnnaphbpinSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-886.18852016; Eh
thumbnail.jpeg5-May-2025/base-reactants/base-reactants-6omenaphboh2/base-reactants-6omenaphboh2-orcasp base_reactants_6omenaphboh2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-674.54111075; Eh
thumbnail.jpeg5-May-2025/base-reactants/base-reactants-6cnnaphboh2/base-reactants-6cnnaphboh2-orcasp base_reactants_6cnnaphboh2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-652.31543551; Eh
thumbnail.jpeg5-May-2025/base-reactants/base-reactants-6omenaph/base-reactants-6omenaph-orcasp base_reactants_6omenaphSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-498.91433049; Eh
thumbnail.jpeg5-May-2025/base-reactants/base-reactants-6cnnaph/base-reactants-6cnnaph-orcasp base_reactants_6cnnaphSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-476.68931298; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee18-ts-et2-et3/3t-tbujohnphos-6omee18-ts-et2-et3-opt 3t_tbujohnphos_6omee18_ts_et2_et3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2382.97299782; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee19-et3-bpinoh/3t-tbujohnphos-6omee19-et3-bpinoh-opt 3t_tbujohnphos_6omee19_et3_bpinohSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2383.00082472; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee17-et2-h2o/3t-tbujohnphos-6omee17-et2-h2o-opt 3t_tbujohnphos_6omee17_et2_h2oSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2382.98865854; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee16-et2/3t-tbujohnphos-6omee16-et2-opt 3t_tbujohnphos_6omee16_et2Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2306.68824471; Eh
Results 5221-5230 of 5821 (Search time: 0.009 seconds).