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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOiPr_Benzylium_2Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-461.03790975; Eh
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOEt_Benzylium_3Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-421.99157295; Eh
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOEt_Benzylium_1Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-421.99157276; Eh
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOEt_Benzylium_2Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-421.98928360; Eh
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOEt_BP_1Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-672.91782341; Eh
thumbnail.jpeg5-May-2021/BenzylAlcohol_Alkene_Complex/DLPNO-CCSDT Benzylium_OH_tert_butylene_5Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-500.07805081; Eh
thumbnail.jpeg5-May-2021/Benzylium/DFT pOtBu_Benzylium_1Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-503.19246378; Eh
thumbnail.jpeg5-May-2021/Benzylium/DFT pOtBu_Benzylium_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-503.19247584; Eh
thumbnail.jpeg5-May-2021/Benzylium/DFT pOiPr_Benzylium_1Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-463.87550877; Eh
thumbnail.jpeg5-May-2021/Benzylium/DFT pOiPr_Benzylium_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-463.87000923; Eh
Results 31-40 of 77 (Search time: 0.001 seconds).