Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 pOEt_Benzylium_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-424.55092588; Eh
thumbnail.jpeg5-May-2021/Carbocations/DFT IsopropyliumIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-118.21737916; 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 EthyleneIeritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-78.59291371; 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/BenzylAlcohol_Alkene_Complex/DFT Benzylium_OH_Isopropylene_3Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-463.85139431; 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/Benzylium/DFT pOtBu_Benzylium_2Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-503.19247584; Eh
thumbnail.jpeg5-May-2021/Benzylium/DFT pOEt_Benzylium_3Ieritano, ChristianOrca; 4.2.1; RELEASEGeometry optimization Minimum-def2-TZVPP-424.55234150; Eh
Results 1-10 of 1443 (Search time: 0.002 seconds).