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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-67-t4ob-h2o/3x-tbubrettphos-67-t4ob-h2o-orcasp 3x-tbubrettphos-67-t4ob-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2613.34114446; Eh
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-14-ts-t1-t2/3z-adjohnphos-14-ts-t1-t2-orcasp 3z-adjohnphos-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2419.08759994; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6omee05-ec2/3e-pcy3-6omee05-ec2-orcasp 3e_pcy3_6omee05_ec2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2231.79197137; Eh
thumbnail.jpeg26-Jan-2025/3i-pad3/3i-pad3-09-c3/3i-pad3-09-c3-orcasp 3i-pad3-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2171.03380402; Eh
thumbnail.jpeg26-Jan-2025/3r-xphos/3r-xphos-21-t4/3r-xphos-21-t4-orcasp 3r-xphos-21-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2287.35655070; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6ome17-ts-t2-t3/3m-cyjohnphos-6ome17-ts-t2-t3-opt 3m_cyjohnphos_6ome17_ts_t2_t3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2303.35722548; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-25-ts-t5-t6/3x-tbubrettphos-25-ts-t5-t6-opt 3x-tbubrettphos-25-ts-t5-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2616.17787456; Eh
thumbnail.jpeg5-May-2025/3h-ptbu3/3h-ptbu3-6omee07-ts-ec2-ec3/3h-ptbu3-6omee07-ts-ec2-ec3-orcasp 3h_ptbu3_6omee07_ts_ec2_ec3Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2076.45988335; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-14-ts-t1-t2/3v-tbudavephos-14-ts-t1-t2-orcasp 3v-tbudavephos-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2089.54885735; Eh
thumbnail.jpeg26-Jan-2025/3m-cyjohnphos/3m-cyjohnphos-55-tw-ref/3m-cyjohnphos-55-tw-ref-orcasp 3m-cyjohnphos-55-tw-ref-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1626.35205462; Eh
Results 4261-4270 of 5927 (Search time: 0.007 seconds).