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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jul-2019	/pm7/toluene br_anion	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.146559693852; Eh
	24-Jul-2019	/pm7/toluene tma	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	0.159430389107; Eh
	24-Jul-2019	/pm7/toluene co2	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.134770358358; Eh
	24-Jul-2019	/pm7/toluene propylene_oxide	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-
	24-Jul-2019	/pm7/toluene tmabr	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-
	24-Jul-2019	/pm7/toluene ts1	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	-	VSTO-6G ZDO	-0.298661818926; Eh
	24-Jul-2019	/pm7/toluene ts2	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	-	VSTO-6G ZDO	-0.333409097173; Eh
	26-Sep-2016	/Copper ATS1_A	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1854.82813567; Eh
	26-Sep-2016	/Copper ATS1_C	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1854.82500169; Eh
	26-Sep-2016	/Silver Adduct_C	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.21136682; Eh

Results 5641-5650 of 106051 (Search time: 0.005 seconds).