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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 s1_energy_m062x_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X; TD-FC	GEN	-1359.6632485; Eh
	2-Oct-2023	/geo_opt 3g_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1476.27903273; 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	/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 3m_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1769.40251699; Eh
	2-Oct-2023	/geo_opt 3k_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1576.68702100; 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
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_Cl V6-Cl_m06	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	DEF2TZVPP	-8742.58103935; 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 geo_opt_m062x_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1155.01200112; Eh

Results 981-990 of 1082 (Search time: 0.002 seconds).