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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Sep-2022	fe4co4_3H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RPBEPBE	GEN	-15112.6970582; Eh
	27-Sep-2022	fe4co4_H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RPBEPBE	GEN	-14960.1547974; Eh
	23-Sep-2022	/cm5 mNO2PhI	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-732.0937344; Eh
	23-Sep-2022	/cm5 mNMe2PhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-661.5398996; Eh
	23-Sep-2022	/cm5 mNMe2_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-619.8436551; Eh
	23-Sep-2022	/cm5 mNH2_Bpin	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-541.2125905; Eh
	23-Sep-2022	/cm5 mmOMePhI	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-756.6497775; Eh
	23-Sep-2022	/cm5 mNO2_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-690.4002975; Eh
	23-Sep-2022	/cm5 mOH_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-561.0818509; Eh
	23-Sep-2022	/cm5 mNH2PhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-582.9088389; Eh

Results 25071-25080 of 100136 (Search time: 0.015 seconds).