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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOiPr_BP_1Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-712.23851288; Eh
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOiPr_BP_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-712.23860476; Eh
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOtBu_BPIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-751.55336216; Eh
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOiPr_BP_3Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-712.23220983; Eh
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOEt_BP_3Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-672.91555966; Eh
thumbnail.jpeg5-May-2021/Benzylpyridinium/DFT pOEt_BP_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization-def2-TZVPP-672.91570112; Eh
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOtBu_Benzylium_2Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-500.09023512; Eh
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOtBu_Benzylium_1Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-500.09023468; Eh
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOiPr_Benzylium_1Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-461.04452565; Eh
thumbnail.jpeg5-May-2021/Benzylium/DLPNO-CCSDT pOiPr_Benzylium_3Ieritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-421.99157295; Eh
Results 21-30 of 77 (Search time: 0.002 seconds).