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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 3f_core_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-666.442374003; Eh
	2-Oct-2023	/geo_opt 3b_core_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-576.462558683; Eh
	2-Oct-2023	/geo_opt 3e_core_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-554.191020033; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_m062x_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X; TD-FC	GEN	-1269.6694015; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_m062x_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X; TD-FC	GEN	-1155.1439916; Eh
	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 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	/geo_opt 3h_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1588.53059076; Eh
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_CH3 V6-CH3_m06	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	DEF2TZVPP	-7485.95337099; Eh

Results 1001-1009 of 1009 (Search time: 0.001 seconds).