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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6ome03-c1/3e-pcy3-6ome03-c1-opt 3e_pcy3_6ome03_c1Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2000.03715760; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6cn20-ts-t3-t4/3e-pcy3-6cn20-ts-t3-t4-orcasp 3e_pcy3_6cn20_ts_t3_t4Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.95644874; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-69-t4-boh3/3x-tbubrettphos-69-t4-boh3-orcasp 3x-tbubrettphos-69-t4-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.35683993; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee05-ec2/3t-tbujohnphos-6omee05-ec2-orcasp 3t_tbujohnphos_6omee05_ec2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2304.17076586; Eh
thumbnail.jpeg8-Nov-2025/3m-cyjohnphos/3m-cyjohnphos-20-ts-t3-t4/3m-cyjohnphos-20-ts-t3-t4-orcasp 3m_cyjohnphos_20_ts_t3_t4Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1934.73080802; Eh
thumbnail.jpeg26-Jan-2025/3i-pad3/3i-pad3-25-ts-t5-t6/3i-pad3-25-ts-t5-t6-orcasp 3i-pad3-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2422.90791631; Eh
thumbnail.jpeg26-Jan-2025/3r-xphos/3r-xphos-36-ts-rxt-yb/3r-xphos-36-ts-rxt-yb-orcasp 3r-xphos-36-ts-rxt-yb-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2539.25085777; Eh
thumbnail.jpeg26-Jan-2025/3t-tbujohnphos/3t-tbujohnphos-39-t2-lig/3t-tbujohnphos-39-t2-lig-opt 3t-tbujohnphos-39-t2-lig-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-3076.13711635; Eh
thumbnail.jpeg26-Jan-2025/3j-iprjohnphos/3j-iprjohnphos-13-t1/3j-iprjohnphos-13-t1-opt 3j-iprjohnphos-13-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1879.72261274; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6ome17-ts-t2-t3/3e-pcy3-6ome17-ts-t2-t3-orcasp 3e_pcy3_6ome17_ts_t2_t3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2074.13151412; Eh
Results 4961-4970 of 5927 (Search time: 0.008 seconds).