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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-07-ts-c2-c3/9c-etjohnphos-07-ts-c2-c3-opt 9c-etjohnphos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1877.59993537; Eh
thumbnail.jpeg26-Jan-2025/3m-cyjohnphos/3m-cyjohnphos-38-ts-yb-c1/3m-cyjohnphos-38-ts-yb-c1-opt 3m-cyjohnphos-38-ts-yb-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2189.03262488; Eh
thumbnail.jpeg26-Jan-2025/3r-xphos/3r-xphos-23-ts-c5-c6/3r-xphos-23-ts-c5-c6-opt 3r-xphos-23-ts-c5-c6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2542.14111534; Eh
thumbnail.jpeg26-Jan-2025/unlig-pdoh2/unlig-pdoh2-10-ts-int3-int4/unlig-pdoh2-10-ts-int3-int4-orcasp unlig-pdoh2-10-ts-int3-int4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1223.74107641; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6cne06-ec2-h2o/3e-pcy3-6cne06-ec2-h2o-orcasp 3e_pcy3_6cne06_ec2_h2oSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2285.83546682; Eh
thumbnail.jpeg26-Jan-2025/3u-tbumephos/3u-tbumephos-12-ts-rxt-t1/3u-tbumephos-12-ts-rxt-t1-orcasp 3u-tbumephos-12-ts-rxt-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1995.19491432; Eh
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-43-t3-lig/3e-pcy3-43-t3-lig-orcasp 3e-pcy3-43-t3-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2752.50348307; Eh
thumbnail.jpeg26-Jan-2025/9e-pcbu3/9e-pcbu3-08-c3-boh3/9e-pcbu3-08-c3-boh3-orcasp 9e-pcbu3-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1724.77943964; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6cn02-ts-rxt-c1/3t-tbujohnphos-6cn02-ts-rxt-c1-opt 3t_tbujohnphos_6cn02_ts_rxt_c1Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2050.22808640; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-20-ts-t3-t4/3aa-adbrettphos-20-ts-t3-t4-opt 3aa-adbrettphos-20-ts-t3-t4-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2827.81769903; Eh
Results 3511-3520 of 5927 (Search time: 0.005 seconds).