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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3h-ptbu3/3h-ptbu3-11-c4/3h-ptbu3-11-c4-orcasp 3h-ptbu3-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1476.39731375; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-41-p1-boh3/9c-etjohnphos-41-p1-boh3-opt 9c-etjohnphos-41-p1-boh3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2762.38081773; Eh
thumbnail.jpeg26-Jan-2025/3s-brettphos/3s-brettphos-07-ts-c2-c3/3s-brettphos-07-ts-c2-c3-opt 3s-brettphos-07-ts-c2-c3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2770.81973553; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-03-c1/3k-phjohnphos-03-c1-opt 3k-phjohnphos-03-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2105.54038433; Eh
thumbnail.jpeg5-May-2025/3m-cyjohnphos/3m-cyjohnphos-6omee04-ts-ec1-ec2/3m-cyjohnphos-6omee04-ts-ec1-ec2-orcasp 3m_cyjohnphos_6omee04_ts_ec1_ec2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2458.49142217; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-10-ts-c3-c4/3x-tbubrettphos-10-ts-c3-c4-orcasp 3x-tbubrettphos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2361.35333929; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-17-ts-t2-t3/9d-mejohnphos-17-ts-t2-t3-orcasp 9d-mejohnphos-17-ts-t2-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1797.25949097; Eh
thumbnail.jpeg26-Jan-2025/3b-potol3/3b-potol3-25-ts-t5-t6/3b-potol3-25-ts-t5-t6-orcasp 3b-potol3-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2066.73777225; Eh
thumbnail.jpeg26-Jan-2025/3n-cymephos/3n-cymephos-23-ts-c5-c6/3n-cymephos-23-ts-c5-c6-orcasp 3n-cymephos-23-ts-c5-c6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2225.83161274; Eh
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-09-c3/3e-pcy3-09-c3-orcasp 3e-pcy3-09-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1708.00951666; Eh
Results 5831-5840 of 5927 (Search time: 0.004 seconds).