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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2024/3n-tbuxphos/3n-tbuxphos-27-ts-t2-xa 3n-tbuxphos-27-ts-t2-xa-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2308.61930554; Eh
thumbnail.jpeg6-Aug-2024/3k-tbujohnphos/3k-tbujohnphos-51-tl-ref 3k-tbujohnphos-51-tl-ref-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2512.60400278; Eh
thumbnail.jpeg6-Aug-2024/base-reactants/base-reactants-pd3oac6 base-reactants-pd3oac6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1750.09027317; Eh
thumbnail.jpeg6-Aug-2024/3o-tbubrettphos/3o-tbubrettphos-03-c1 3o-tbubrettphos-03-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2537.03275033; Eh
thumbnail.jpeg6-Aug-2024/3g-sphos/3g-sphos-08-c3-boh3 3g-sphos-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2415.17403566; Eh
thumbnail.jpeg6-Aug-2024/2h-pcy2tbu/2h-pcy2tbu-24-t5 2h-pcy2tbu-24-t5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1882.71111825; Eh
thumbnail.jpeg6-Aug-2024/3n-tbuxphos/3n-tbuxphos-67-t3ob-2h2o 3n-tbuxphos-67-t3ob-2h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2076.49199393; Eh
thumbnail.jpeg6-Aug-2024/3k-tbujohnphos/3k-tbujohnphos-17-ts-t2-t3 3k-tbujohnphos-17-ts-t2-t3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2032.29185413; Eh
thumbnail.jpeg6-Aug-2024/2h-pcy2tbu/2h-pcy2tbu-25-ts-t5-t6 2h-pcy2tbu-25-ts-t5-t6-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1882.69796009; Eh
thumbnail.jpeg6-Aug-2024/2g-pcy3/2g-pcy3-02-ts-rxt-c1 2g-pcy3-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1883.62739280; Eh
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