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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	/C60ACET/OPTFREQ A9	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-5084.67441265; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A8P	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3011.77671944; Eh
	3-Oct-2019	/C60ACET/OPTFREQ ACETYLENE	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-77.3335540462; Eh
	3-Oct-2019	/C60ACET/OPTFREQ A8	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4048.21604562; Eh
	12-Jun-2019	/OPTFREQ A4P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4020.18862786; Eh
	12-Jun-2019	/OPTFREQ A3PP_EXO	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-4020.19788909; Eh
	12-Jun-2019	/OPTFREQ A2	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-3674.29639001; Eh
	12-Jun-2019	/OPTFREQ A5	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	-	-1185.18156493; Eh
	3-Oct-2019	I1_66_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.24164119; Eh
	3-Oct-2019	I2_55_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.25534654; Eh

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