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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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	TS1_66_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.21305952; Eh
3-Oct-2019	TS2_55_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.24734895; 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	TS1_55_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.23034467; 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
3-Oct-2019	/C60ACET/OPTFREQ A6PA8P_56	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3011.68934643; Eh

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