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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 geo_opt_camb3lyp_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP	6-311+G(D,P)	-1588.33735366; Eh
	2-Oct-2023	/functional_selection geo_opt_camb3lyp_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP	6-311+G(D,P)	-1461.91773679; Eh
	2-Oct-2023	/functional_selection geo_opt_m062x_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1359.50394928; Eh
	2-Oct-2023	/functional_selection geo_opt_m062x_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1269.52351417; Eh
	2-Oct-2023	/functional_selection geo_opt_m062x_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1155.01200112; 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

Results 31-40 of 58 (Search time: 0.001 seconds).