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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3q-ruphos/3q-ruphos-02-ts-rxt-c1/3q-ruphos-02-ts-rxt-c1-orcasp 3q-ruphos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2495.57079637; Eh
thumbnail.jpeg26-Jan-2025/3p-sphos/3p-sphos-14-ts-t1-t2/3p-sphos-14-ts-t1-t2-orcasp 3p-sphos-14-ts-t1-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2338.85415722; Eh
thumbnail.jpeg26-Jan-2025/3l-phdavephos/3l-phdavephos-09-c3/3l-phdavephos-09-c3-orcasp 3l-phdavephos-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2061.19920044; Eh
thumbnail.jpeg26-Jan-2025/9f-pcpr3/9f-pcpr3-42-p1/9f-pcpr3-42-p1-orcasp 9f-pcpr3-42-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1970.86191713; Eh
thumbnail.jpeg26-Jan-2025/3c-pipr3/3c-pipr3-19-t3/3c-pipr3-19-t3-orcasp 3c-pipr3-19-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1358.92060126; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6cne06-ec2-h2o/3t-tbujohnphos-6cne06-ec2-h2o-opt 3t_tbujohnphos_6cne06_ec2_h2oSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2360.78562092; Eh
thumbnail.jpeg26-Jan-2025/3h-ptbu3/3h-ptbu3-12-ts-rxt-t1/3h-ptbu3-12-ts-rxt-t1-opt 3h-ptbu3-12-ts-rxt-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1653.84869308; Eh
thumbnail.jpeg26-Jan-2025/3t-tbujohnphos/3t-tbujohnphos-53-ts-ref/3t-tbujohnphos-53-ts-ref-opt 3t-tbujohnphos-53-ts-ref-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1704.37898170; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee13-ts-etrxt-et1/3t-tbujohnphos-6omee13-ts-etrxt-et1-orcasp 3t_tbujohnphos_6omee13_ts_etrxt_et1Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2304.11611411; Eh
thumbnail.jpeg5-May-2025/3h-ptbu3/3h-ptbu3-6cne19-et3-bpinoh/3h-ptbu3-6cne19-et3-bpinoh-orcasp 3h_ptbu3_6cne19_et3_bpinohSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2054.21764095; Eh
Results 5701-5710 of 5927 (Search time: 0.007 seconds).