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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3z-adjohnphos/3z-adjohnphos-16-t2-h2o/3z-adjohnphos-16-t2-h2o-orcasp 3z-adjohnphos-16-t2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2495.38004576; Eh
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-11-c4/9a-cbujohnphos-11-c4-orcasp 9a-cbujohnphos-11-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1777.96483426; Eh
thumbnail.jpeg26-Jan-2025/3r-xphos/3r-xphos-00-lpdoh2/3r-xphos-00-lpdoh2-orcasp 3r-xphos-00-lpdoh2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3805.40573290; Eh
thumbnail.jpeg26-Jan-2025/3aa-adbrettphos/3aa-adbrettphos-38-ts-yb-c1/3aa-adbrettphos-38-ts-yb-c1-opt 3aa-adbrettphos-38-ts-yb-c1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-3079.84903204; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-06-c2-h2o/3k-phjohnphos-06-c2-h2o-opt 3k-phjohnphos-06-c2-h2o-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2181.89558820; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-05-c2/3x-tbubrettphos-05-c2-opt 3x-tbubrettphos-05-c2-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2SVP DEF2SVP/W06-2539.93070958; Eh
thumbnail.jpeg26-Jan-2025/base-catalysis/base-catalysis-01-naphboh3-h2o/base-catalysis-01-naphboh3-h2o-orcasp base-catalysis-01-naphboh3-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-712.31597070; Eh
thumbnail.jpeg26-Jan-2025/9d-mejohnphos/9d-mejohnphos-44-ts-t3-p1/9d-mejohnphos-44-ts-t3-p1-orcasp 9d-mejohnphos-44-ts-t3-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2427.20462985; Eh
thumbnail.jpeg26-Jan-2025/3s-brettphos/3s-brettphos-07-ts-c2-c3/3s-brettphos-07-ts-c2-c3-orcasp 3s-brettphos-07-ts-c2-c3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2767.74687179; Eh
thumbnail.jpeg26-Jan-2025/3s-brettphos/3s-brettphos-10-ts-c3-c4/3s-brettphos-10-ts-c3-c4-orcasp 3s-brettphos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2515.74844299; Eh
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