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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-73-ts-t4ob-t5ob/3w-tbuxphos-73-ts-t4ob-t5ob-orcasp 3w-tbuxphos-73-ts-t4ob-t5ob-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2308.63956975; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6ome12-ts-rxt-t1/3t-tbujohnphos-6ome12-ts-rxt-t1-orcasp 3t_tbujohnphos_6ome12_ts_rxt_t1Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2070.24845427; Eh
thumbnail.jpeg26-Jan-2025/3n-cymephos/3n-cymephos-02-ts-rxt-c1/3n-cymephos-02-ts-rxt-c1-orcasp 3n-cymephos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2149.57124456; Eh
thumbnail.jpeg26-Jan-2025/3w-tbuxphos/3w-tbuxphos-11-c4/3w-tbuxphos-11-c4-orcasp 3w-tbuxphos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2132.94261609; Eh
thumbnail.jpeg26-Jan-2025/3g-ptbu2cy/3g-ptbu2cy-25-ts-t5-t6/3g-ptbu2cy-25-ts-t5-t6-opt 3g-ptbu2cy-25-ts-t5-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1807.44938089; Eh
thumbnail.jpeg26-Jan-2025/3m-cyjohnphos/3m-cyjohnphos-08-c3-boh3/3m-cyjohnphos-08-c3-boh3-opt 3m-cyjohnphos-08-c3-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2189.09931381; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6omee03-ec1/3m-cyjohnphos-6omee03-ec1-orcasp 3m_cyjohnphos_6omee03_ec1Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2458.50280449; Eh
thumbnail.jpeg26-Jan-2025/3r-xphos/3r-xphos-25-ts-t5-t6/3r-xphos-25-ts-t5-t6-orcasp 3r-xphos-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2539.24550051; Eh
thumbnail.jpeg26-Jan-2025/base-reactants/base-reactants-bpinoh/base-reactants-bpinoh-orcasp base-reactants-bpinoh-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-485.79317714; Eh
thumbnail.jpeg26-Jan-2025/9e-pcbu3/9e-pcbu3-03-c1/9e-pcbu3-03-c1-orcasp 9e-pcbu3-03-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1648.45965056; Eh
Results 5431-5440 of 5927 (Search time: 0.008 seconds).