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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	/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
	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 geo_opt_camb3lyp_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP	6-311+G(D,P)	-1359.31316685; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1588.8084476; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_wb97xd_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD	GEN	-1462.4149511; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_camb3lyp_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP	GEN	-1154.9466408; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_wb97xd_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	GEN	-1462.4149511; Eh
	2-Oct-2023	/functional_selection geo_opt_b3lyp_3a	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1155.48859538; Eh

Results 31-40 of 98 (Search time: 0.002 seconds).