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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2024/3d-cyjohnphos/3d-cyjohnphos-39-t2-lig 3d-cyjohnphos-39-t2-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3381.70120711; Eh
thumbnail.jpeg6-Aug-2024/3n-tbuxphos/3n-tbuxphos-62-t3ob-rh 3n-tbuxphos-62-t3ob-rh-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2308.65154295; Eh
thumbnail.jpeg6-Aug-2024/3d-cyjohnphos/3d-cyjohnphos-48-c-ref 3d-cyjohnphos-48-c-ref-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1550.07678994; Eh
thumbnail.jpeg6-Aug-2024/3i-xphos/3i-xphos-02-ts-rxt-c1 3i-xphos-02-ts-rxt-c1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2462.98634516; Eh
thumbnail.jpeg6-Aug-2024/2e-pipr3/2e-pipr3-00-lpdoh2 2e-pipr3-00-lpdoh2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1948.54750997; Eh
thumbnail.jpeg6-Aug-2024/3n-tbuxphos/3n-tbuxphos-24-t5 3n-tbuxphos-24-t5-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2384.89055741; Eh
thumbnail.jpeg6-Aug-2024/3q-adjohnphos/3q-adjohnphos-16-t2-h2o 3q-adjohnphos-16-t2-h2o-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2495.38004576; Eh
thumbnail.jpeg6-Aug-2024/9e-pcbu3/9e-pcbu3-43-t3-lig 9e-pcbu3-43-t3-lig-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2282.15357308; Eh
thumbnail.jpeg6-Aug-2024/9h-pme3/9h-pme3-41-p1-boh3 9h-pme3-41-p1-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1759.97499570; Eh
thumbnail.jpeg6-Aug-2024/3j-brettphos/3j-brettphos-37-yb 3j-brettphos-37-yb-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2767.71729265; Eh
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