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.jpeg31-May-2022/Catalytic_cycle/ZnMg TS1_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4042.79658524; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg TS2_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4231.50569074; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg Int6a_ZnMgWelington de Lima, LucasOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-SVP-4538.46163324; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg Int6a_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4541.49363711; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg Int5b_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4231.51574963; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg poly_cyclohexene_carbonateWelington de Lima, LucasOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-SVP-1036.71621740; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg poly_cyclohexene_carbonate_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-1037.88022259; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnMg TS3b_ZnMg_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-4231.48244169; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnZn Int1_ZnZnWelington de Lima, LucasOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-SVP-5619.87092995; Eh
thumbnail.jpeg31-May-2022/Catalytic_cycle/ZnZn Int1_ZnZn_spWelington de Lima, LucasOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVP-5622.30437585; Eh
Results 31-40 of 78 (Search time: 0.001 seconds).