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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jan-2024	aimel_067787	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-384.772484; Eh
	25-Jan-2024	aimel_063701	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-424.3802688; Eh
	25-Jan-2024	aimel_062690	Cortes Guzman, Fernando	Gaussian; 16; EM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-423.0965895; Eh
	25-Jan-2024	aimel_067413	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-416.8557518; Eh
	25-Jan-2024	aimel_064815	Cortes Guzman, Fernando	Gaussian; 16; EM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-439.2323783; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_b3lyp_3h	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1589.3583901; 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	/functional_selection/energy_calc s1_energy_b3lyp_3j	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1462.947589; Eh
	2-Oct-2023	/functional_selection/energy_calc s1_energy_b3lyp_3f	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP; TD-FC	GEN	-1360.2159832; Eh
	9-Jan-2024	/model_system TS4_H-trans-boat-in	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-1553.80212171; Eh

Results 3471-3480 of 3511 (Search time: 0.003 seconds).