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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Jun-2019	/OPTFREQ TS_A3PPA4P_EXO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.16967765; Eh
	12-Jun-2019	/OPTFREQ TS_A3A4P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.08931793; Eh
	12-Jun-2019	/OPTFREQ TS_A2A3PP_ENDO	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.08087398; Eh
	12-Jun-2019	/OPTFREQ TS_A3A4P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.08479574; Eh
	12-Jun-2019	/OPTFREQ TS_A2A3PP_EXO	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.08043852; Eh
	12-Jun-2019	/OPTFREQ TS_A3PB1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-3674.24887146; Eh
	3-Oct-2019	/C60ACET/OPTFREQ B4PP	Artigas, Albert	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	cc-pVDZ	-2934.32408648; Eh
	12-Jun-2019	/OPTFREQ TS_A3PPA4P_ENDO_A	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.15948507; Eh
	12-Jun-2019	/OPTFREQ TS_A4PA5P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.15741176; Eh
	12-Jun-2019	/OPTFREQ TS_A4A5P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	cc-pVDZ	-4020.10257947; Eh

Results 41-50 of 427 (Search time: 0.001 seconds).