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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Jul-2019/pm7/propylene_carbonate hemicarbonateGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.388629199435; Eh
Login required24-Jul-2019/pm7/propylene_carbonate propylene_carbonateGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.216763889026; Eh
Login required24-Jul-2019/pm7/propylene_carbonate tmaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO0.126753098953; Eh
Login required24-Jul-2019/pm7/toluene br_anionGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.146559693852; Eh
Login required24-Jul-2019/pm7/propylene_carbonate propylene_oxideGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-
Login required24-Jul-2019/pm7/toluene co2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.134770358358; Eh
Login required24-Jul-2019/pm7/propylene_carbonate tmabrGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-
Login required24-Jul-2019/pm7/toluene propylene_carbonateGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.212551588113; Eh
Login required24-Jul-2019/pm7/toluene hemicarbonateGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.354651849690; Eh
Login required24-Jul-2019/pm7/toluene tmaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO0.159430389107; Eh
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