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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_m062x_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1462.17367844; 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
	2-Oct-2023	/geo_opt 3a_core_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-461.951161541; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_m062x_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X; TD-FC	GEN	-1462.3428165; Eh
	2-Oct-2023	/geo_opt 3d_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1492.06583736; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_m062x_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X	GEN	-1359.6632485; Eh
	2-Oct-2023	/geo_opt 3e_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1247.25240662; Eh
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_m06	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	DEF2TZVPP	-8979.53150131; Eh
	30-Jan-2024	/Ligand_Substituent_Effects_Polyoxometalates/V6_OH V6-OH_m06	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RM062X	DEF2TZVPP	-7636.39142316; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_m062x_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM062X; TD-FC	GEN	-1588.7175388; Eh

Results 991-1000 of 1082 (Search time: 0.002 seconds).