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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Jun-2019	/SPE TS_A2A3	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.5741056; Eh
12-Jun-2019	/SPE C1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.6030123; Eh
3-Oct-2019	PRODUCT_56d_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	-	-2785.25268520; Eh
3-Oct-2019	TS2_55_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.24962224; 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
12-Jun-2019	/SPE A4P_ENDO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5186351; Eh
12-Jun-2019	/SPE A5P_EXO_B	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-4020.5625529; Eh
12-Jun-2019	/SPE B1	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RM06L	cc-pVTZ	-3674.6287284; Eh

Results 101-110 of 525 (Search time: 0.0 seconds).