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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2025/3h-ptbu3/3h-ptbu3-6cn02-ts-rxt-c1/3h-ptbu3-6cn02-ts-rxt-c1-orcasp 3h_ptbu3_6cn02_ts_rxt_c1Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1744.05269074; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-00-lpdoh2/3v-tbudavephos-00-lpdoh2-orcasp 3v-tbudavephos-00-lpdoh2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3058.53059081; Eh
thumbnail.jpeg5-May-2025/3e-pcy3/3e-pcy3-6cne03-ec1/3e-pcy3-6cne03-ec1-orcasp 3e_pcy3_6cne03_ec1Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2209.50150514; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-05-c2/3v-tbudavephos-05-c2-orcasp 3v-tbudavephos-05-c2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2089.61009103; Eh
thumbnail.jpeg26-Jan-2025/3f-pcy2tbu/3f-pcy2tbu-22-c5/3f-pcy2tbu-22-c5-orcasp 3f-pcy2tbu-22-c5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1882.75559211; Eh
thumbnail.jpeg26-Jan-2025/3r-xphos/3r-xphos-37-yb/3r-xphos-37-yb-orcasp 3r-xphos-37-yb-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2539.27432639; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee07-ts-ec2-ec3/3t-tbujohnphos-6omee07-ts-ec2-ec3-opt 3t_tbujohnphos_6omee07_ts_ec2_ec3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2383.01334045; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6cn08-c3-boh3/3m-cyjohnphos-6cn08-c3-boh3-opt 3m_cyjohnphos_6cn08_c3_boh3Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2281.17861829; Eh
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-12-ts-rxt-t1/9a-cbujohnphos-12-ts-rxt-t1-opt 9a-cbujohnphos-12-ts-rxt-t1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-1955.71931766; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6cn13-t1/3t-tbujohnphos-6cn13-t1-opt 3t_tbujohnphos_6cn13_t1Ser, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2050.25282870; Eh
Results 4701-4710 of 5927 (Search time: 0.003 seconds).