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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Jun-2019	/OPTFREQ TS_A3A4	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3674.25400838; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B4PB5P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3970.72567938; Eh
	12-Jun-2019	/OPTFREQ TS_A3PPA4P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.16454787; Eh
	12-Jun-2019	/OPTFREQ TS_A3A4P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.08118178; Eh
	12-Jun-2019	/OPTFREQ TS_A3PPA4P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.15224690; Eh
	12-Jun-2019	/OPTFREQ TS_A3A4P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.08106480; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B3B4	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-5007.17861027; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A7PA8P_66	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3011.71343503; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A7PA8P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3011.69540920; Eh
	12-Jun-2019	/OPTFREQ TS_A1A2	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3674.21402902; Eh

Results 31-40 of 124 (Search time: 0.0 seconds).