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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-Oct-2019	C68_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2591.11753126; Eh
3-Oct-2019	CYCLOPENTADIENE	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RB3LYP	-	-194.115117243; Eh
3-Oct-2019	I1_55_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.24144297; Eh
3-Oct-2019	I1_55_Triplet	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.24377038; Eh
3-Oct-2019	I1_56d_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.23964694; Eh
3-Oct-2019	I1_56d_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.24241478; Eh
3-Oct-2019	I1_66_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.23889656; 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_Singlet_Open_Shell	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.25534942; Eh
3-Oct-2019	I2_55_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.25534654; Eh
3-Oct-2019	I2_56d_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.24059501; Eh
3-Oct-2019	I2_56d_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.24094107; Eh
3-Oct-2019	I2_66_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.21968225; Eh
3-Oct-2019	I2_66_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.22065252; Eh
3-Oct-2019	PRODUCT_55_SOS	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-2785.29394384; Eh
3-Oct-2019	PRODUCT_55_TRIPLET	Artigas, Albert	Gaussian; 09; ES64L-G09RevE.01	Single point TS	UB3LYP	-	-2785.28609242; Eh
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

Showing results 1 to 20 of 37 next >