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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6omee15-ts-et1-et2/3t-tbujohnphos-6omee15-ts-et1-et2-orcasp 3t_tbujohnphos_6omee15_ts_et1_et2Ser, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2304.11261237; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-36-ts-rxt-yb/3aa-adbrettphos-36-ts-rxt-yb-orcasp 3aa-adbrettphos-36-ts-rxt-yb-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3076.36884911; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-02-ts-rxt-c1/9c-etjohnphos-02-ts-rxt-c1-orcasp 9c-etjohnphos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1799.33060738; Eh
thumbnail.jpeg26-Jan-2025/3c-pipr3/3c-pipr3-06-c2-h2o/3c-pipr3-06-c2-h2o-orcasp 3c-pipr3-06-c2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1610.88554347; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-99-lig/3v-tbudavephos-99-lig-orcasp 3v-tbudavephos-99-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1250.45018615; Eh
thumbnail.jpeg26-Jan-2025/3h-ptbu3/3h-ptbu3-89-hc1/3h-ptbu3-89-hc1-orcasp 3h-ptbu3-89-hc1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1960.50090594; Eh
thumbnail.jpeg26-Jan-2025/3l-phdavephos/3l-phdavephos-17-ts-t2-t3/3l-phdavephos-17-ts-t2-t3-opt 3l-phdavephos-17-ts-t2-t3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2315.55477120; Eh
thumbnail.jpeg26-Jan-2025/3h-ptbu3/3h-ptbu3-50-cl-ref/3h-ptbu3-50-cl-ref-opt 3h-ptbu3-50-cl-ref-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1906.61462724; Eh
thumbnail.jpeg26-Jan-2025/3l-phdavephos/3l-phdavephos-22-c5/3l-phdavephos-22-c5-opt 3l-phdavephos-22-c5-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2315.59023013; Eh
thumbnail.jpeg26-Jan-2025/9c-etjohnphos/9c-etjohnphos-07-ts-c2-c3/9c-etjohnphos-07-ts-c2-c3-orcasp 9c-etjohnphos-07-ts-c2-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1875.65392306; Eh
Results 4071-4080 of 5927 (Search time: 0.002 seconds).