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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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 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 mNH2PhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-582.9088389; Eh
	27-Sep-2022	fe4co4_3H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RPBEPBE	GEN	-15112.6970582; Eh
	26-Feb-2024	ts-ch3hcooo-ch3-pdmincomplex	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G SDD GENECP*	-1354.59629883; Eh
	26-Feb-2024	ch3ph3-hcooo-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-647.400553545; Eh
	26-Feb-2024	ch3hcooo-ch3-aupme3-ch3	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G SDD GENECP*	-941.151375530; Eh
	26-Aug-2024	geom3_ee_LLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6616.2419631; Eh
	26-Aug-2024	geom131_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6397033; Eh

Results 27981-27990 of 103542 (Search time: 0.016 seconds).