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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	2-Oct-2023	/geo_opt 3i_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1875.60924117; Eh
	2-Oct-2023	/geo_opt 3i_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1875.57519051; Eh
	2-Oct-2023	/functional_selection geo_opt_b3lyp_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1462.77698922; Eh
	2-Oct-2023	/functional_selection geo_opt_camb3lyp_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP	6-311+G(D,P)	-1154.81035410; Eh
	2-Oct-2023	/functional_selection geo_opt_wb97xd_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311+G(D,P)	-1155.08070751; Eh
	2-Oct-2023	/functional_selection geo_opt_m062x_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1462.17367844; Eh
	2-Oct-2023	/functional_selection geo_opt_m062x_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1588.53059076; Eh
	2-Oct-2023	/functional_selection geo_opt_wb97xd_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311+G(D,P)	-1359.57896229; Eh
	2-Oct-2023	/functional_selection geo_opt_wb97xd_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311+G(D,P)	-1588.62109129; Eh

Results 41-50 of 58 (Search time: 0.001 seconds).