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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2021/Carbocations/DFT EthyliumIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-78.86687884; Eh
thumbnail.jpeg5-May-2021/Alcohols Benzyl_Alcohol_DLPNO-CCSDTIeritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-343.89504514; Eh
thumbnail.jpeg5-May-2021/Alkenes/DLPNO-CCSDT IsopropyleneIeritano, ChristianOrca; 4.2.1; RELEASESingle pointDLPNO-CCSD(T)def2-TZVPP; def2-TZVPP/C-117.12003951; Eh
thumbnail.jpeg5-May-2021/Alcohols Benzyl_Alcohol_DFTIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-345.92025710; Eh
thumbnail.jpeg5-May-2021/Alkenes/DFT tert-butyleneIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-117.91574454; Eh
thumbnail.jpeg5-May-2021/Alkenes/DFT IsopropyleneIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-117.91574454; Eh
thumbnail.jpeg5-May-2021/Alkenes/DFT EthyleneIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-78.59291371; Eh
Results 71-77 of 77 (Search time: 0.001 seconds).