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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_camb3lyp_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	GEN	-1462.0911888; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_camb3lyp_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP	GEN	-1588.5313361; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_wb97xd_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RwB97XD; TD-FC	GEN	-1588.8084476; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_b3lyp_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GEN	-1360.2159832; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_b3lyp_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GEN	-1589.3583901; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_b3lyp_3b	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GEN	-1270.1917546; Eh
	2-Oct-2023	/functional_selection/energy_calc s0_energy_b3lyp_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GEN	-1462.947589; Eh
	2-Oct-2023	/geo_opt 3k_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1576.65345980; Eh
	2-Oct-2023	/geo_opt 3l_prep_t1	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM062X	6-311+G(D,P)	-1666.62955335; Eh
	2-Oct-2023	/geo_opt 3l_prep_s0	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-1666.66370097; Eh

Results 11-20 of 98 (Search time: 0.002 seconds).