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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBN_Ag_frag295Ieritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-920.64375749; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBN_AgIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1106.39924272; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBG_Ag_193fragIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-614.04768992; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBD_Ag_231fragIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-728.83622117; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Charged_Fragments/CCSDT CBC_AgIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-1108.70425658; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT Isoprene_AgHIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-340.71401994; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT AgMeIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-185.70567517; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT AgHIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-146.65967898; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT 2_Me_2-6_octadieneIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-350.22578557; Eh
thumbnail.jpeg2-May-2023/CID_Fragmentation_DeltaG/Neutral_Fragments/CCSDT 2_Me_2-6_octadiene_AgIeritano, ChristianOrca; 5.0.3; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-495.70711924; Eh
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