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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Oct-2022	/template-3/ts1/c2 ts1c2_FBONIN	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-3058.01943196; Eh
	5-Oct-2022	/template-3/ts1/c2 ts1c2_FFONIN	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-3058.01517688; Eh
	5-Oct-2022	/template-3/int5 int5_FFINIA_c1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN DEF2TZVPP	-3407.0536373; Eh
	5-Oct-2022	/template-1/ts1/c6 ts1c6_FBIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.40479464; Eh
	5-Oct-2022	/template-1/ts1/c4 ts1c4_BFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.39556363; Eh
	5-Oct-2022	/template-1/ts1/c4 ts1c4_FBIAIN_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.39483894; Eh
	5-Oct-2022	/template-1/ts1/c7 ts1c6_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.39301891; Eh
	5-Oct-2022	/template-1/ts1/c3 ts1c3_BFOAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.40141296; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_trans_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4320.15938303; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.04747621; Eh

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