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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	/OATS/large_basis_sets pNO2-mmNMe2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2001.0325801; Eh
	23-Sep-2022	/OATS/large_basis_sets pNO2-mCOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1885.7049123; Eh
	23-Sep-2022	/OATS/large_basis_sets pNO2-pCOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1885.7071263; Eh
	23-Sep-2022	/OATS/large_basis_sets pNO2-mOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1847.5642814; Eh
	23-Sep-2022	/OATS/large_basis_sets pNO2-pOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1808.2526995; Eh
	23-Sep-2022	/OATS/large_basis_sets pNMe2-pNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1717.8155722; Eh
	23-Sep-2022	/OATS/large_basis_sets pMe-pCl	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2027.3773039; Eh
	23-Sep-2022	/OATS mCN-mNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1391.36538384; Eh
	4-Sep-2023	m06SP_H3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311+G(D,P) SDD GENECP	-1139.427029; Eh
	23-Sep-2022	/OATS/large_basis_sets mtBu-pOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1800.2973782; Eh

Results 29051-29060 of 103542 (Search time: 0.017 seconds).