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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-81-t6ob-1h2o/3x-tbubrettphos-81-t6ob-1h2o-orcasp 3x-tbubrettphos-81-t6ob-1h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2304.93463788; Eh
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-16-t2-h2o/9a-cbujohnphos-16-t2-h2o-orcasp 9a-cbujohnphos-16-t2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2029.91041196; Eh
thumbnail.jpeg26-Jan-2025/3i-pad3/3i-pad3-10-ts-c3-c4/3i-pad3-10-ts-c3-c4-orcasp 3i-pad3-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2170.97409159; Eh
thumbnail.jpeg5-May-2025/3t-tbujohnphos/3t-tbujohnphos-6cn01-rxt/3t-tbujohnphos-6cn01-rxt-orcasp 3t_tbujohnphos_6cn01_rxtSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2048.05082706; Eh
thumbnail.jpeg26-Jan-2025/3o-davephos/3o-davephos-08-c3-boh3/3o-davephos-08-c3-boh3-orcasp 3o-davephos-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2320.25656897; Eh
thumbnail.jpeg26-Jan-2025/9b-cptjohnphos/9b-cptjohnphos-15-t2/9b-cptjohnphos-15-t2-orcasp 9b-cptjohnphos-15-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2032.06905747; Eh
thumbnail.jpeg26-Jan-2025/3n-cymephos/3n-cymephos-13-t1/3n-cymephos-13-t1-orcasp 3n-cymephos-13-t1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2149.59537498; Eh
thumbnail.jpeg26-Jan-2025/3r-xphos/3r-xphos-22-c5/3r-xphos-22-c5-orcasp 3r-xphos-22-c5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2539.29220099; Eh
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-05-c2/9a-cbujohnphos-05-c2-opt 9a-cbujohnphos-05-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1955.78388549; Eh
thumbnail.jpeg26-Jan-2025/unlig-pdoh2/unlig-pdoh2-09-int3/unlig-pdoh2-09-int3-opt unlig-pdoh2-09-int3-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-1225.32601365; Eh
Results 5041-5050 of 5927 (Search time: 0.009 seconds).