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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_flcnoac	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1131.55369; Eh
	28-Aug-2024	fl_rad	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-771.203935323; Eh
	28-Aug-2024	uvvisfrag1_catb3lyp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP; TD-FC	6-311+G(D,P)	-1345.7674817; Eh
	28-Aug-2024	ar3no2_rad_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-1181.40937234; Eh
	28-Aug-2024	flno2_rad_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-1180.22178026; Eh
	28-Aug-2024	SP_cnoac_an_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-360.2616277; Eh
	28-Aug-2024	ar3m2_cat_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1345.48109008; Eh
	28-Aug-2024	SP_ar3no2obn	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1567.3626498; Eh
	28-Aug-2024	ar3m2obn_C	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1731.16245873; Eh
	28-Aug-2024	obn_an_m2c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-617.081974800; Eh

Results 91041-91050 of 91738 (Search time: 0.05 seconds).