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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 mMe-mOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1643.0049637; Eh
	23-Sep-2022	/OATS/large_basis_sets mF-mMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1667.0258481; Eh
	23-Sep-2022	/OATS/large_basis_sets mCF3-pNO2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2070.1599552; Eh
	23-Sep-2022	/OATS/large_basis_sets mCF3-pNH2	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1920.9642643; Eh
	23-Sep-2022	/OATS/large_basis_sets C6F5-pOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2100.0125794; Eh
	23-Sep-2022	/OATS/large_basis_sets C6F5-pCN	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2117.0359741; Eh
	23-Sep-2022	/OATS/large_basis_sets mCl-mCF3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2325.2082769; Eh
	23-Sep-2022	/OATS/large_basis_sets mMe-pCF3	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1904.9080071; Eh
	23-Sep-2022	/OATS/large_basis_sets mCF3-mMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1904.9117909; Eh
	23-Sep-2022	/OATS/large_basis_sets mMe-pCN	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1660.0288285; Eh

Results 24011-24020 of 101821 (Search time: 0.015 seconds).