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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	TS_56d_CONCERTED	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	-	-2785.22292762; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3011.67550807; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6PA7P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3011.68803019; Eh
	3-Oct-2019	/C60ACET/OPTFREQ PPH3	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-1036.38610999; Eh
	3-Oct-2019	/C60ACET/OPTFREQ PRODUCT	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-2441.24498186; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6A7_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4048.11372625; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.12013886; Eh
	3-Oct-2019	/C60ACET/OPTFREQ C7_66	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.26172002; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6A7	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4048.13669984; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B6	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.14686589; Eh

Results 31-40 of 445 (Search time: 0.001 seconds).