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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
23-Jun-2020	4	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	GEN	-3393.6859534; Eh
23-Jun-2020	TS4_prim	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	GEN	-3393.6446844; Eh
23-Jun-2020	4_prim	Miłaczewska, Anna	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	GEN	-3393.7025235; Eh
13-Sep-2021	azo-exo-TS-p	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-1107.4420854; Eh
13-Sep-2021	azo-endo-R	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-1107.4560725; Eh
13-Sep-2021	azo-endo-TS-p	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-1107.4509728; Eh
13-Sep-2021	azo-endo-R-p	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-1107.4581694; Eh
13-Sep-2021	azo-exo-R-p	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-1107.453754; Eh
13-Sep-2021	azo-endo-TS	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-1107.4503404; Eh
13-Sep-2021	azo-exo-TS	Besalú-Sala, Pau	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311++G(2D,2P)	-1107.4531655; Eh

Results 301-310 of 341 (Search time: 0.001 seconds).