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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/functional_selection/energy_calc s0_energy_m062x_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	GEN	-1588.7175388; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_m062x_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	GEN	-1269.6694015; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_m062x_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	GEN	-1155.1439916; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_b3lyp_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GEN	-1155.6225495; Eh
	2-Oct-2023	/geo_opt 3b_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1269.49258896; Eh
	2-Oct-2023	/geo_opt 3c_core_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-595.861581869; Eh
	2-Oct-2023	/geo_opt 3c_core_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-595.893434979; Eh
	2-Oct-2023	/geo_opt 3c_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1288.92497722; Eh
	2-Oct-2023	/geo_opt 3d_core_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-799.004622652; Eh
	2-Oct-2023	/geo_opt 3c_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1288.95433482; Eh

Results 71-80 of 98 (Search time: 0.001 seconds).