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Showing results 41 to 60 of 61 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	PRODUCT_56d_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	-	-2785.26534028; Eh
3-Oct-2019	PRODUCT_56d_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	-	-2785.25268520; Eh
3-Oct-2019	PRODUCT_56f_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Minimum	UB3LYP	-	-2785.28238905; Eh
3-Oct-2019	PRODUCT_56f_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.28167712; Eh
3-Oct-2019	PRODUCT_66_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.26288383; Eh
3-Oct-2019	PRODUCT_66_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.26422697; Eh
3-Oct-2019	TS1_55_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.22892587; Eh
3-Oct-2019	TS1_55_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.23034467; Eh
3-Oct-2019	TS1_56d_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	-	-2785.22389201; Eh
3-Oct-2019	TS1_56d_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	-	-2785.22537826; Eh
3-Oct-2019	TS1_66_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.20774107; 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_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.24962224; Eh
3-Oct-2019	TS2_55_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.24734895; Eh
3-Oct-2019	TS2_56d_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.22810934; Eh
3-Oct-2019	TS2_56f_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.24870535; Eh
3-Oct-2019	TS2_66_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-2785.21809268; Eh
3-Oct-2019	TS_55_CONCERTED	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	-	-2785.22568918; Eh
3-Oct-2019	TS_56d_CONCERTED	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	-	-2785.22292762; Eh
3-Oct-2019	TS_56f_CONCERTED	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RB3LYP	-	-2785.22952927; Eh

Showing results 41 to 60 of 61 < previous next >