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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	SP_flobn_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1157.0205708; Eh
	28-Aug-2024	cnoac_an_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-360.134547894; Eh
	28-Aug-2024	SP_obn_an_m2c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-617.2980515; Eh
	28-Aug-2024	SP_flno2_cat	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1180.3297595; Eh
	28-Aug-2024	obn_an_m1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-501.331188661; Eh
	28-Aug-2024	UVfl_rad_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-311+G(D,P)	-770.9188164; Eh
	28-Aug-2024	ar3no2cnoac_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1541.46012924; Eh
	28-Aug-2024	ar3m2_cat_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1345.48558493; Eh
	28-Aug-2024	SP_cnoac_rad_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(D,P)	-360.0930438; Eh
	28-Aug-2024	ar3no2_cat_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1181.21602753; Eh

Results 91191-91200 of 91738 (Search time: 0.046 seconds).